# fragment of the original mmcif_pdbx_v50.dic file used for testing data_mmcif_pdbx.dic _datablock.id mmcif_pdbx.dic _datablock.description ; This data block holds the Protein Data Bank Exchange Data dictionary. ; _dictionary.title mmcif_pdbx.dic _dictionary.datablock_id mmcif_pdbx.dic _dictionary.version 5.292 # loop_ _dictionary_history.version _dictionary_history.update _dictionary_history.revision 5.100 2012-08-21 ; Changes (jdw): + Release as provisional version 5.100 ; 5.101 2012-08-22 ; Changes (jdw): + added provisional extension for multi-source entities + added provisional extension for branched entities + added provisional extension for residues on special positions + added provisional extension for NMR data items for D&A deposition system + added provisional extension for identifying the ligand in a site ; # ################## ## SUB_CATEGORY ## ################## loop_ _sub_category.id _sub_category.description 'cartesian_coordinate' ; The collection of x, y, and z components of a position specified with reference to a Cartesian (orthogonal Angstrom) coordinate system. ; 'cartesian_coordinate_esd' ; The collection of estimated standard deviations of the x, y, and z components of a position specified with reference to a Cartesian (orthogonal Angstrom) coordinate system. ; 'fractional_coordinate' ; The collection of x, y, and z components of a position specified with reference to unit cell directions. ; 'fractional_coordinate_esd' ; The collection of estimated standard deviations of the x, y, and z components of a position specified with reference to unit cell directions. ; 'matrix' ; The collection of elements of a matrix. ; miller_index ; The collection of h, k, and l components of the Miller index of a reflection. ; 'cell_length' ; The collection of a, b, and c axis lengths of a unit cell. ; 'cell_length_esd' ; The collection of estimated standard deviations of the a, b, and c axis lengths of a unit cell. ; 'cell_angle' ; The collection of alpha, beta, and gamma angles of a unit cell. ; 'cell_angle_esd' ; The collection of estimated standard deviations of the alpha, beta, and gamma angles of a unit cell. ; 'mm_atom_site_auth_label' ; The collection of asym id, atom id, comp id and seq id components of an author's alternative specification for a macromolecular atom site. ; 'mm_atom_site_label' ; The collection of alt id, asym id, atom id, comp id and seq id components of the label for a macromolecular atom site. ; 'vector' ; The collection of elements of a vector. ; ######################### ## CATEGORY_GROUP_LIST ## ######################### loop_ _category_group_list.id _category_group_list.parent_id _category_group_list.description ## 'inclusive_group' . ; The parent category group containing all of the data categories in the macromolecular dictionary. ; 'atom_group' 'inclusive_group' ; Categories that describe the properties of atoms. ; 'array_data_group' 'inclusive_group' ; Categories that describe array data. ; 'axis_group' 'inclusive_group' ; Categories that describe axes. ; 'audit_group' 'inclusive_group' ; Categories that describe dictionary maintenance and identification. ; 'cell_group' 'inclusive_group' ; Categories that describe the unit cell. ; 'chemical_group' 'inclusive_group' ; Categories that describe chemical features derived from the experimental coordinate data. ; 'chem_comp_group' 'inclusive_group' ; Categories that define the chemical structure and nomenclature of the momoners and ligands in the experiment. ; 'chem_comp_dictionary_group' 'inclusive_group' ; Categories defining chemical structure and nomenclature of the momoners and ligands used in the Chemical Component Dictionary. ; 'chem_comp_model_group' 'inclusive_group' ; Categories defining structural models for chemical components defined in the Chemical Component Dictionary. ; 'bird_dictionary_group' 'inclusive_group' ; Categories defining chemical structure and nomenclature of the small polymer molecules used in the Biologically Interesting Molecule Reference Dictionary (BIRD). ; 'bird_family_dictionary_group' 'inclusive_group' ; Categories defining families of related molecules used in the Biologically Interesting Molecule Reference Dictionary (BIRD). ; 'chem_link_group' 'inclusive_group' ; Categories that describe links between components of chemical structure. ; 'citation_group' 'inclusive_group' ; Categories that provide bibliographic references. ; 'computing_group' 'inclusive_group' ; Categories that describe the computational details of the experiment. ; 'compliance_group' 'inclusive_group' ; Categories that are included in this dictionary specifically to comply with previous dictionaries. ; 'database_group' 'inclusive_group' ; Categories that hold references to entries in databases that contain related information. ; 'diffrn_group' 'inclusive_group' ; Categories that describe details of the diffraction experiment. ; 'em_group' 'inclusive_group' ; Categories that describe 3-dimensional electron microscopy. ; 'em_legacy_group' 'inclusive_group' ; Categories that describe 3-dimensional electron microscopy (legacy). ; 'emdb_admin_group' 'inclusive_group' ; Administrative Categories for Electron Microscopy Data Bank. ; 'emdb_extension_group' 'inclusive_group' ; Categories that describe 3-dimensional electron microscopy (EMDB extension). ; 'entity_group' 'inclusive_group' ; Categories that describe the unique chemical and molecular entities. ; 'entry_group' 'inclusive_group' ; Categories that pertain to the entire data block. ; 'exptl_group' 'inclusive_group' ; Categories that hold details of the experimental conditions. ; 'geom_group' 'inclusive_group' ; Categories that hold details of molecular and crystal geometry. ; 'iucr_group' 'inclusive_group' ; Categories that are used for manuscript submission and internal processing by the staff of the International Union of Crystallography. ; 'nmr_group' 'inclusive_group' ; Categories that describe Nuclear Magnetic Spectroscopy experiments. ; 'pdb_group' 'inclusive_group' ; Categories that pertain to the file-format or data-processing codes used by the Protein Data Bank. ; 'phasing_group' 'inclusive_group' ; Categories that describe phasing. ; 'refine_group' 'inclusive_group' ; Categories that describe refinement. ; 'refln_group' 'inclusive_group' ; Categories that describe the details of reflection measurements. ; 'struct_group' 'inclusive_group' ; Categories that contain details about the experimental structure. ; 'symmetry_group' 'inclusive_group' ; Categories that describe symmetry information. ; 'pdbx_group' 'inclusive_group' ; Categories which have been added to support the data archiving and exchange for the Protein Data Bank. ; 'pdbx_erf_group' 'inclusive_group' ; Categories which are used by RCSB PDB to store derived and computed data. ; 'ccp4_group' 'inclusive_group' ; Categories from the CCP4 harvest dictionary. ; 'ndb_group' 'inclusive_group' ; Categories which are used by the Nucleic Acid Database. ; 'rcsb_group' 'inclusive_group' ; Categories which are used internally by the RCSB PDB. ; 'protein_production_group' 'inclusive_group' ; Categories which describe the details of protein production. ; 'solution_scattering_group' 'inclusive_group' ; Categories which describe the details of solution scattering experiments. ; 'validate_group' 'inclusive_group' ; Categories that describe geometric properties of residues that deviate from expected standards by 6 * the expected RMSD ; 'view_group' 'inclusive_group' ; Categories which are used to storing view transformations. ; 'em_specimen' 'inclusive_group' ; Categories that describe electron microscopy specimens. ; 'em_sample' 'inclusive_group' ; Categories that describe electron microscopy samples. ; 'em_crystallography' 'inclusive_group' ; Categories that describe electron crystallography. ; 'em_fitting' 'inclusive_group' ; Categories that describe electron microscopy fitting. ; 'em_tomography' 'inclusive_group' ; Categories that describe electron tomography. ; 'em_imaging' 'inclusive_group' ; Categories that describe electron microscopy imaging. ; 'em_reconstruction' 'inclusive_group' ; Categories that describe electron microscopy reconstruction. ; 'em_symmetry_group' 'inclusive_group' ; Categories that describe electron microscopy symmetry. ; 'em_experiment' 'inclusive_group' ; Categories that describe electron microscopy experimental details. ; 'em_symmetry' 'inclusive_group' ; Categories that describe electron microscopy symmetry details. ; 'emd_group' 'inclusive_group' ; Categories describing electron microscopy that are used by the wwPDB deposition and annotation system. ; 'chem_comp_model_group' 'inclusive_group' ; Categories describing experimental and computational models for individual chemical components. ; 'dcc_group' 'inclusive_group' ; Categories output by the crystallographic data utility application DCC. ; 'xfel_group' 'inclusive_group' ; Categories that describe X-ray Free Electron Laser (XFEL) data collection and experimental details. ; 'diffrn_data_set_group' 'inclusive_group' ; Categories extending the description of measured diffraction data. ; #################### ## ITEM_TYPE_LIST ## #################### # # # The regular expressions defined here are not compliant # with the POSIX 1003.2 standard as they include the # '\n' and '\t' special characters. These regular expressions # have been tested using version 0.12 of Richard Stallman's # GNU regular expression library in POSIX mode. # # # For some data items, a standard syntax is assumed. The syntax is # described for each data item in the dictionary, but is summarized here: # # Names: The family name(s) followed by a comma, precedes the first # name(s) or initial(s). # # Telephone numbers: # The international code is given in brackets and any extension # number is preceded by 'ext'. # # Dates: In the form yyyy-mm-dd. # ############################################################################## loop_ _item_type_list.code _item_type_list.primitive_code _item_type_list.construct _item_type_list.detail code char '[][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*' ; code item types/single words ... ; ucode uchar '[][_,.;:"&<>()/\{}'`~!@#$%A-Za-z0-9*|+-]*' ; code item types/single words (case insensitive) ... ; line char '[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ; char item types / multi-word items ... ; uline uchar '[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ; char item types / multi-word items (case insensitive)... ; text char '[][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ; text item types / multi-line text ... ; int numb '[+-]?[0-9]+' ; int item types are the subset of numbers that are the negative or positive integers. ; float numb '-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?' ; float item types are the subset of numbers that are the floating numbers. ; name uchar '_[_A-Za-z0-9]+\.[][_A-Za-z0-9%-]+' ; name item types take the form... ; idname uchar '[_A-Za-z0-9]+' ; idname item types take the form... ; any char '.*' ; A catch all for items that may take any form... ; yyyy-mm-dd char '[0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9]-[0-9][0-9]' ; Standard format for CIF dates. ; yyyy-mm-dd:hh:mm-flex char '[0-9][0-9][0-9][0-9](-[0-9]?[0-9])?(-[0-9][0-9])?(:[0-9]?[0-9]:[0-9][0-9])?' ; Flexible date-time format. ; uchar3 uchar '[+]?[A-Za-z0-9][A-Za-z0-9]?[A-Za-z0-9]?' ; data item for 3 character codes ; uchar1 uchar '[+]?[A-Za-z0-9]' ; data item for 1 character codes ; symop char '([1-9]|[1-9][0-9]|1[0-8][0-9]|19[0-2])(_[1-9][1-9][1-9])?' ; symop item types take the form n_klm, where n refers to the symmetry operation that is applied to the coordinates in the ATOM_SITE category identified by _atom_site_label. It must match a number given in _symmetry_equiv_pos_site_id. k, l, and m refer to the translations that are subsequently applied to the symmetry transformed coordinates to generate the atom used. These translations (x,y,z) are related to (k,l,m) by k = 5 + x l = 5 + y m = 5 + z By adding 5 to the translations, the use of negative numbers is avoided. ; atcode char '[][ _(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ; Character data type for atom names ... ; yyyy-mm-dd:hh:mm char '[0-9]?[0-9]?[0-9][0-9]-[0-9]?[0-9](-[0-9]?[0-9])?(:[0-9]?[0-9]:[0-9][0-9])?' ; Standard format for CIF dates with optional time stamp. ; fax uchar '[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*' ; code item types/single words (case insensitive) ... ; phone uchar '[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*' ; code item types/single words (case insensitive) ... ; email uchar '[_,.;:"&<>/\{}'`~!@#$%A-Za-z0-9*|+-]*' ; code item types/single words (case insensitive) ... ; int-range numb '[+-]?[0-9]+-[+-]?[0-9]+' # '-?[0-9]+(--?[0-9]+)?' ; range of integer item types are the subset of numbers that are the negative or positive integers. ; float-range numb '-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?(--?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)?)?' ; int item types are the subset of numbers that are the floating numbers. ; code30 char '.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?.?' 'A string value, not allowed to exceed 30 characters.' # binary char ;\n--CIF-BINARY-FORMAT-SECTION--\n\ [][ \n\t()_,.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*\ \n--CIF-BINARY-FORMAT-SECTION---- ; ; binary items are presented as MIME-like ascii-encoded sections in an imgCIF. In a CBF, raw octet streams are used to convey the same information. ; # Place-holder regex for this to avoid breaking any software. operation_expression char '[][ \t_(),.;:"&<>/\{}'`~!@#$%?+=*A-Za-z0-9|^-]*' ; sequence of parenthetical integer ranges and character codes ; ec-type char # '[1-6](.[1-9][0-9]?)?(.[1-9][0-9]?)?(.[1-9][0-9]?[0-9]?)?' '([1-6]((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?[0-9]?)|(.-)))(([ ]*,[ ]*)([1-6]((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?)|(.-))((.[1-9][0-9]?[0-9]?)|(.-))))*' ; Approximate format of Enzyme Commission EC number. 1.2.3.4 with optional parts. ; seq-one-letter-code char '(([\nUGPAVLIMCFYWHKRQNEDSTX]+)?|(\([0-9A-Z][0-9A-Z]?[0-9A-Z]?\))?)+' ; One letter code sequence supporting parenthetical modified residues with 3-letter codes ; ucode-alphanum-csv uchar '[A-Za-z0-9]+(,[A-Za-z0-9]+)?' ; comma separated alpha numeric codes (single words) (case insensitive) ... ; point_symmetry char '[CD][1-9]|[CD][1-9][0-9]*|T|O|I' ; Encodes point symmetry as Cn, Dn, T, O, or I (case sensitive), where n is a positive integer. ; id_list char '[A-Za-z0-9]+(,[A-Za-z0-9]+)*' ; A list of comma separated chain or asym ids. ; 3x4_matrices char '((([ \t]*-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? +){3}?(-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? *\n([\t ]*\n)*)){3})*(([ \t]*-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? +){3}?(-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? *\n([\t ]*\n)*)){2}(([ \t]*-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? +){3}(-?(([0-9]+)[.]?|([0-9]*[.][0-9]+))([(][0-9]+[)])?([eE][+-]?[0-9]+)? *\n?([\t ]*\n)*))[ \t]*' ; A set of 3x4 matrices separated by spaces and newlines on each line. Final newline optional. Optional spaces at start of lines. Blank lines accepted. ; non_negative_int numb '[0-9]|[1-9][0-9]*' 'Non negative integers (0,1,2,..)' positive_int numb '[1-9][0-9]*' 'Positive integers (1,2,3,..)' emd_id char 'EMD-[1-9][0-9][0-9][0-9]' 'EMDB code' pdb_id char '[1-9][A-Z0-9][A-Z0-9][A-Z0-9]' 'PDB code (upper cases)' point_group char 'C[1-9][0-9]*|D[2-9]|D[1-9][0-9]+|O|T|I' 'Point group symmetry in Schoenflies notation' point_group_helical char '[CD][1-9][0-9]*' 'Point group symmetry for helices in Schoenflies notation' boolean char 'YES|NO' 'Boolean type' #author char "[A-Za-z '\-]+,\s+([A-Z\-]+\.)+$" 'Author name in PDB format: Taylor, C.A.' author char "[A-Za-z0-9_]+(( |-|'|\. )[A-Za-z0-9_]+)*( Jr.| III)?, [A-Za-z0-9_]\.(-?[A-Za-z0-9_]+\.)*$" 'Author name in PDB format: Taylor, C.A.' orcid_id char "[0-9]{4}-[0-9]{4}-[0-9]{4}-([0-9]{3}X|[0-9]{4})" 'ORCID pattern - dddd-dddd-dddd-dddd|dddX' symmetry_operation char '[-+0-9XxYyZ/ ]+,[-+0-9XxYyZ/ ]+,[-+0-9XxYyZ/ ]+' 'Allowed characters for use in symmetry operation such as 1/2-x,y,1/2-z' sequence_dep char '[a-zA-Z0-9\t \r\n\v\f\(\)]+$' 'Deposition specific one letter code' date_dep char '([1-9][0-9](([02468][048])|([13579][26]))-02-29)|[1-9][0-9][0-9][0-9]-((((0[1-9])|(1[0-2]))-((0[1-9])|(1[0-9])|(2[0-8])))|((((0[13578])|(1[02]))-31)|(((0[1,3-9])|(1[0-2]))-(29|30))))' 'Deposition specific date with better checking' ##################### ## ITEM_UNITS_LIST ## ##################### loop_ _item_units_list.code _item_units_list.detail # 'metres' 'metres (metres)' 'centimetres' 'centimetres (metres * 10^( -2)^)' 'millimetres' 'millimetres (metres * 10^( -3)^)' 'micrometres' 'micrometres (metres * 10^( -6)^)' 'nanometres' 'nanometres (metres * 10^( -9)^)' 'nanometers' 'nanometers (metres * 10^( -9)^)' 'angstroms' 'Angstroms (metres * 10^(-10)^)' 'picometres' 'picometres (metres * 10^(-12)^)' 'femtometres' 'femtometres (metres * 10^(-15)^)' # 'reciprocal_metres' 'reciprocal metres (metres^(-1)^)' 'reciprocal_centimetres' 'reciprocal centimetres ((metres * 10^( -2))^(-1))' 'reciprocal_millimetres' 'reciprocal millimetres ((metres * 10^( -3)^)^(-1)^)' 'reciprocal_nanometres' 'reciprocal nanometres ((metres * 10^( -9)^)^(-1)^)' 'reciprocal_angstroms' 'reciprocal angstroms ((metres * 10^(-10)^)^(-1)^)' 'reciprocal_picometres' 'reciprocal picometres ((metres * 10^(-12)^)^(-1)^)' # 'micrometres_squared' 'micrometres squared (metres * 10^( -6)^)^2^' 'nanometres_squared' 'nanometres squared (metres * 10^( -9)^)^2^' 'angstroms_squared' 'Angstroms squared (metres * 10^(-10)^)^2^' '8pi2_angstroms_squared' '8pi^2^ * Angstroms squared (metres * 10^(-10)^)^2^' 'picometres_squared' 'picometres squared (metres * 10^(-12)^)^2^' # 'nanometres_cubed' 'nanometres cubed (metres * 10^( -9)^)^3^' 'angstroms_cubed' 'Angstroms cubed (metres * 10^(-10)^)^3^' 'picometres_cubed' 'picometres cubed (metres * 10^(-12)^)^3^' # 'kilopascals' 'kilopascals' 'gigapascals' 'gigapascals' # 'hours' 'hours' 'minutes' 'minutes' 'seconds' 'seconds' 'microseconds' 'microseconds (seconds * 10^( -6)^)' 'femtoseconds' 'femtoseconds (seconds * 10^( -15)^)' # 'degrees' 'degrees (of arc)' 'milliradians' 'milliradians (of arc)' # 'degrees_per_minute' 'degrees (of arc) per minute' # 'celsius' 'degrees (of temperature) Celsius' 'kelvins' 'degrees (of temperature) Kelvin' # 'electrons' 'electrons' # 'electrons_squared' 'electrons squared' # 'electrons_per_nanometres_cubed' ; electrons per nanometres cubed (electrons/(metres * 10^( -9)^)^(-3)^) ; 'electrons_per_angstroms_cubed' ; electrons per Angstroms cubed (electrons/(metres * 10^(-10)^)^(-3)^) ; 'electrons_per_picometres_cubed' ; electrons per picometres cubed (electrons/(metres * 10^(-12)^)^(-3)^) ; 'kilowatts' 'kilowatts' 'milliamperes' 'milliamperes' 'kilovolts' 'kilovolts' 'volts' 'volts' # 'arbitrary' ; arbitrary system of units. ; # 'angstroms_degrees' 'Angstroms * degrees' # 'degrees_squared' 'degrees squared' # 'mg_per_ml' 'milliliter per milligram' # 'ml_per_min' 'milliliters per minute' 'microliters_per_min' 'microliters per minute' # 'milliliters' 'liter / 1000' # 'milligrams' 'grams / 1000' # 'megadaltons' 'megadaltons' 'kilodaltons' 'kilodaltons' "kilodaltons/nanometer" "kilodaltons/nanometer" # 'microns_squared' 'micrometres squared (metres * 10^( -6)^)^2^' 'microns' 'micrometres (metres * 10^( -6)^)' # 'electrons_angstrom_squared' 'electrons square Angstrom' 'electron_volts' 'electron volts' 'kiloelectron_volts' 'KeV (electron volts * 10^( 3)^)' # 'mg/ml' 'mg per milliliter' 'millimolar' 'millimolar' 'megagrams_per_cubic_metre' 'megagrams per cubic metre' 'pixels_per_millimetre' 'pixels per millimetre' 'counts' 'counts' 'counts_per_photon' 'counts per photon' 'pascals' 'pascals' 'teraphotons_per_pulse' '(photons * 10^( 12)^) per pulse' 'joules' 'Joules' 'microjoules' 'joules * 10^( -6)^' 'hertz' 'reciprocal seconds' # loop_ _item_units_conversion.from_code _item_units_conversion.to_code _item_units_conversion.operator _item_units_conversion.factor ### 'metres' 'centimetres' '*' 1.0E+02 'metres' 'millimetres' '*' 1.0E+03 'metres' 'nanometres' '*' 1.0E+09 'metres' 'angstroms' '*' 1.0E+10 'metres' 'picometres' '*' 1.0E+12 'metres' 'femtometres' '*' 1.0E+15 'centimetres' 'millimetres' '*' 1.0E+01 'centimetres' 'nanometres' '*' 1.0E+07 'centimetres' 'angstroms' '*' 1.0E+08 'centimetres' 'picometres' '*' 1.0E+10 'centimetres' 'femtometres' '*' 1.0E+13 # 'millimetres' 'centimetres' '*' 1.0E-01 'millimetres' 'nanometres' '*' 1.0E+06 'millimetres' 'angstroms' '*' 1.0E+07 'millimetres' 'picometres' '*' 1.0E+09 'millimetres' 'femtometres' '*' 1.0E+12 # 'nanometres' 'centimetres' '*' 1.0E-07 'nanometres' 'millimetres' '*' 1.0E-06 'nanometres' 'angstroms' '*' 1.0E+01 'nanometres' 'picometres' '*' 1.0E+03 'nanometres' 'femtometres' '*' 1.0E+06 # 'angstroms' 'centimetres' '*' 1.0E-08 'angstroms' 'millimetres' '*' 1.0E-07 'angstroms' 'nanometres' '*' 1.0E-01 'angstroms' 'picometres' '*' 1.0E+02 'angstroms' 'femtometres' '*' 1.0E+05 # 'picometres' 'centimetres' '*' 1.0E-10 'picometres' 'millimetres' '*' 1.0E-09 'picometres' 'nanometres' '*' 1.0E-03 'picometres' 'angstroms' '*' 1.0E-02 'picometres' 'femtometres' '*' 1.0E+03 # 'femtometres' 'centimetres' '*' 1.0E-13 'femtometres' 'millimetres' '*' 1.0E-12 'femtometres' 'nanometres' '*' 1.0E-06 'femtometres' 'angstroms' '*' 1.0E-05 'femtometres' 'picometres' '*' 1.0E-03 ### 'reciprocal_centimetres' 'reciprocal_millimetres' '*' 1.0E-01 'reciprocal_centimetres' 'reciprocal_nanometres' '*' 1.0E-07 'reciprocal_centimetres' 'reciprocal_angstroms' '*' 1.0E-08 'reciprocal_centimetres' 'reciprocal_picometres' '*' 1.0E-10 # 'reciprocal_millimetres' 'reciprocal_centimetres' '*' 1.0E+01 'reciprocal_millimetres' 'reciprocal_nanometres' '*' 1.0E-06 'reciprocal_millimetres' 'reciprocal_angstroms' '*' 1.0E-07 'reciprocal_millimetres' 'reciprocal_picometres' '*' 1.0E-09 # 'reciprocal_nanometres' 'reciprocal_centimetres' '*' 1.0E+07 'reciprocal_nanometres' 'reciprocal_millimetres' '*' 1.0E+06 'reciprocal_nanometres' 'reciprocal_angstroms' '*' 1.0E-01 'reciprocal_nanometres' 'reciprocal_picometres' '*' 1.0E-03 # 'reciprocal_angstroms' 'reciprocal_centimetres' '*' 1.0E+08 'reciprocal_angstroms' 'reciprocal_millimetres' '*' 1.0E+07 'reciprocal_angstroms' 'reciprocal_nanometres' '*' 1.0E+01 'reciprocal_angstroms' 'reciprocal_picometres' '*' 1.0E-02 # 'reciprocal_picometres' 'reciprocal_centimetres' '*' 1.0E+10 'reciprocal_picometres' 'reciprocal_millimetres' '*' 1.0E+09 'reciprocal_picometres' 'reciprocal_nanometres' '*' 1.0E+03 'reciprocal_picometres' 'reciprocal_angstroms' '*' 1.0E+01 ### 'nanometres_squared' 'angstroms_squared' '*' 1.0E+02 'nanometres_squared' 'picometres_squared' '*' 1.0E+06 # 'angstroms_squared' 'nanometres_squared' '*' 1.0E-02 'angstroms_squared' 'picometres_squared' '*' 1.0E+04 'angstroms_squared' '8pi2_angstroms_squared' '*' 78.9568 # 'picometres_squared' 'nanometres_squared' '*' 1.0E-06 'picometres_squared' 'angstroms_squared' '*' 1.0E-04 ### 'nanometres_cubed' 'angstroms_cubed' '*' 1.0E+03 'nanometres_cubed' 'picometres_cubed' '*' 1.0E+09 # 'angstroms_cubed' 'nanometres_cubed' '*' 1.0E-03 'angstroms_cubed' 'picometres_cubed' '*' 1.0E+06 # 'picometres_cubed' 'nanometres_cubed' '*' 1.0E-09 'picometres_cubed' 'angstroms_cubed' '*' 1.0E-06 ### 'kilopascals' 'gigapascals' '*' 1.0E-06 'gigapascals' 'kilopascals' '*' 1.0E+06 ### 'hours' 'minutes' '*' 6.0E+01 'hours' 'seconds' '*' 3.6E+03 'hours' 'microseconds' '*' 3.6E+09 # 'minutes' 'hours' '/' 6.0E+01 'minutes' 'seconds' '*' 6.0E+01 'minutes' 'microseconds' '*' 6.0E+07 # 'seconds' 'hours' '/' 3.6E+03 'seconds' 'minutes' '/' 6.0E+01 'seconds' 'microseconds' '*' 1.0E+06 # 'microseconds' 'hours' '/' 3.6E+09 'microseconds' 'minutes' '/' 6.0E+07 'microseconds' 'seconds' '/' 1.0E+06 ### 'celsius' 'kelvins' '-' 273.0 'kelvins' 'celsius' '+' 273.0 ### 'electrons_per_nanometres_cubed' 'electrons_per_angstroms_cubed' '*' 1.0E+03 'electrons_per_nanometres_cubed' 'electrons_per_picometres_cubed' '*' 1.0E+09 # 'electrons_per_angstroms_cubed' 'electrons_per_nanometres_cubed' '*' 1.0E-03 'electrons_per_angstroms_cubed' 'electrons_per_picometres_cubed' '*' 1.0E+06 # 'electrons_per_picometres_cubed' 'electrons_per_nanometres_cubed' '*' 1.0E-09 'electrons_per_picometres_cubed' 'electrons_per_angstroms_cubed' '*' 1.0E-06 ### ### EOF mmcif_pdbx-data.dic ########################################################################### # # File: mmcif_std-def-1.dic # # mmCIF Data Dictionary (standard defintions) # # This data dictionary contains the standard mmCIF data definitions. # # Defintion Section 1 # # ########################################################################### ############### ## ATOM_SITE ## ############### save_atom_site _category.description ; Data items in the ATOM_SITE category record details about the atom sites in a macromolecular crystal structure, such as the positional coordinates, atomic displacement parameters, magnetic moments and directions. The data items for describing anisotropic atomic displacement factors are only used if the corresponding items are not given in the ATOM_SITE_ANISOTROP category. ; _category.id atom_site _category.mandatory_code no _category_key.name '_atom_site.id' loop_ _category_group.id 'inclusive_group' 'atom_group' loop_ _category_examples.detail _category_examples.case # - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - ; Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. ; ; loop_ _atom_site.group_PDB _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_seq_id _atom_site.label_alt_id _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.footnote_id _atom_site.auth_seq_id _atom_site.id ATOM N N VAL A 11 . 25.369 30.691 11.795 1.00 17.93 . 11 1 ATOM C CA VAL A 11 . 25.970 31.965 12.332 1.00 17.75 . 11 2 ATOM C C VAL A 11 . 25.569 32.010 13.808 1.00 17.83 . 11 3 ATOM O O VAL A 11 . 24.735 31.190 14.167 1.00 17.53 . 11 4 ATOM C CB VAL A 11 . 25.379 33.146 11.540 1.00 17.66 . 11 5 ATOM C CG1 VAL A 11 . 25.584 33.034 10.030 1.00 18.86 . 11 6 ATOM C CG2 VAL A 11 . 23.933 33.309 11.872 1.00 17.12 . 11 7 ATOM N N THR A 12 . 26.095 32.930 14.590 1.00 18.97 4 12 8 ATOM C CA THR A 12 . 25.734 32.995 16.032 1.00 19.80 4 12 9 ATOM C C THR A 12 . 24.695 34.106 16.113 1.00 20.92 4 12 10 ATOM O O THR A 12 . 24.869 35.118 15.421 1.00 21.84 4 12 11 ATOM C CB THR A 12 . 26.911 33.346 17.018 1.00 20.51 4 12 12 ATOM O OG1 THR A 12 3 27.946 33.921 16.183 0.50 20.29 4 12 13 ATOM O OG1 THR A 12 4 27.769 32.142 17.103 0.50 20.59 4 12 14 ATOM C CG2 THR A 12 3 27.418 32.181 17.878 0.50 20.47 4 12 15 ATOM C CG2 THR A 12 4 26.489 33.778 18.426 0.50 20.00 4 12 16 ATOM N N ILE A 13 . 23.664 33.855 16.884 1.00 22.08 . 13 17 ATOM C CA ILE A 13 . 22.623 34.850 17.093 1.00 23.44 . 13 18 ATOM C C ILE A 13 . 22.657 35.113 18.610 1.00 25.77 . 13 19 ATOM O O ILE A 13 . 23.123 34.250 19.406 1.00 26.28 . 13 20 ATOM C CB ILE A 13 . 21.236 34.463 16.492 1.00 22.67 . 13 21 ATOM C CG1 ILE A 13 . 20.478 33.469 17.371 1.00 22.14 . 13 22 ATOM C CG2 ILE A 13 . 21.357 33.986 15.016 1.00 21.75 . 13 23 # - - - - data truncated for brevity - - - - HETATM C C1 APS C . 1 4.171 29.012 7.116 0.58 17.27 1 300 101 HETATM C C2 APS C . 1 4.949 27.758 6.793 0.58 16.95 1 300 102 HETATM O O3 APS C . 1 4.800 26.678 7.393 0.58 16.85 1 300 103 HETATM N N4 APS C . 1 5.930 27.841 5.869 0.58 16.43 1 300 104 # - - - - data truncated for brevity - - - - ; save_ # save__atom_site.attached_hydrogens _item_description.description ; The number of hydrogen atoms attached to the atom at this site excluding any hydrogen atoms for which coordinates (measured or calculated) are given. ; _item.name '_atom_site.attached_hydrogens' _item.category_id atom_site _item.mandatory_code no _item_aliases.alias_name '_atom_site_attached_hydrogens' _item_aliases.dictionary cif_core.dic _item_aliases.version 2.0.1 # _item_default.value 0 loop_ _item_range.maximum _item_range.minimum 8 8 8 0 0 0 _item_type.code int loop_ _item_examples.case _item_examples.detail 2 'water oxygen' 1 'hydroxyl oxygen' 4 'ammonium nitrogen' save_ save__atom_site.auth_asym_id _item_description.description ; An alternative identifier for _atom_site.label_asym_id that may be provided by an author in order to match the identification used in the publication that describes the structure. ; loop_ _item.name _item.category_id _item.mandatory_code '_atom_site.auth_asym_id' atom_site yes '_geom_angle.atom_site_auth_asym_id_1' geom_angle no '_geom_angle.atom_site_auth_asym_id_2' geom_angle no '_geom_angle.atom_site_auth_asym_id_3' geom_angle no '_geom_bond.atom_site_auth_asym_id_1' geom_bond no '_geom_bond.atom_site_auth_asym_id_2' geom_bond no '_geom_contact.atom_site_auth_asym_id_1' geom_contact no '_geom_contact.atom_site_auth_asym_id_2' geom_contact no '_geom_hbond.atom_site_auth_asym_id_A' geom_hbond no '_geom_hbond.atom_site_auth_asym_id_D' geom_hbond no '_geom_hbond.atom_site_auth_asym_id_H' geom_hbond no '_geom_torsion.atom_site_auth_asym_id_1' geom_torsion no '_geom_torsion.atom_site_auth_asym_id_2' geom_torsion no '_geom_torsion.atom_site_auth_asym_id_3' geom_torsion no '_geom_torsion.atom_site_auth_asym_id_4' geom_torsion no '_struct_conf.beg_auth_asym_id' struct_conf no '_struct_conf.end_auth_asym_id' struct_conf no '_struct_conn.ptnr1_auth_asym_id' struct_conn no '_struct_conn.ptnr2_auth_asym_id' struct_conn no '_struct_mon_nucl.auth_asym_id' struct_mon_nucl no '_struct_mon_prot.auth_asym_id' struct_mon_prot no '_struct_mon_prot_cis.auth_asym_id' struct_mon_prot_cis no '_struct_sheet_range.beg_auth_asym_id' struct_sheet_range no '_struct_sheet_range.end_auth_asym_id' struct_sheet_range no '_struct_site_gen.auth_asym_id' struct_site_gen no loop_ _item_linked.child_name _item_linked.parent_name '_geom_angle.atom_site_auth_asym_id_1' '_atom_site.auth_asym_id' '_geom_angle.atom_site_auth_asym_id_2' '_atom_site.auth_asym_id' '_geom_angle.atom_site_auth_asym_id_3' '_atom_site.auth_asym_id' '_geom_bond.atom_site_auth_asym_id_1' '_atom_site.auth_asym_id' '_geom_bond.atom_site_auth_asym_id_2' '_atom_site.auth_asym_id' '_geom_contact.atom_site_auth_asym_id_1' '_atom_site.auth_asym_id' '_geom_contact.atom_site_auth_asym_id_2' '_atom_site.auth_asym_id' '_geom_hbond.atom_site_auth_asym_id_A' '_atom_site.auth_asym_id' '_geom_hbond.atom_site_auth_asym_id_D' '_atom_site.auth_asym_id' '_geom_hbond.atom_site_auth_asym_id_H' '_atom_site.auth_asym_id' '_geom_torsion.atom_site_auth_asym_id_1' '_atom_site.auth_asym_id' '_geom_torsion.atom_site_auth_asym_id_2' '_atom_site.auth_asym_id' '_geom_torsion.atom_site_auth_asym_id_3' '_atom_site.auth_asym_id' '_geom_torsion.atom_site_auth_asym_id_4' '_atom_site.auth_asym_id' '_struct_conf.beg_auth_asym_id' '_atom_site.auth_asym_id' '_struct_conf.end_auth_asym_id' '_atom_site.auth_asym_id' '_struct_conn.ptnr1_auth_asym_id' '_atom_site.auth_asym_id' '_struct_conn.ptnr2_auth_asym_id' '_atom_site.auth_asym_id' '_struct_mon_nucl.auth_asym_id' '_atom_site.auth_asym_id' '_struct_mon_prot.auth_asym_id' '_atom_site.auth_asym_id' '_struct_mon_prot_cis.auth_asym_id' '_atom_site.auth_asym_id' '_struct_sheet_range.beg_auth_asym_id' '_atom_site.auth_asym_id' '_struct_sheet_range.end_auth_asym_id' '_atom_site.auth_asym_id' '_struct_site_gen.auth_asym_id' '_atom_site.auth_asym_id' _item_sub_category.id mm_atom_site_auth_label _item_type.code code save_ save__atom_site.auth_atom_id _item_description.description ; An alternative identifier for _atom_site.label_atom_id that may be provided by an author in order to match the identification used in the publication that describes the structure. ; loop_ _item.name _item.category_id _item.mandatory_code '_atom_site.auth_atom_id' atom_site no '_geom_angle.atom_site_auth_atom_id_1' geom_angle no '_geom_angle.atom_site_auth_atom_id_2' geom_angle no '_geom_angle.atom_site_auth_atom_id_3' geom_angle no '_geom_bond.atom_site_auth_atom_id_1' geom_bond no '_geom_bond.atom_site_auth_atom_id_2' geom_bond no '_geom_contact.atom_site_auth_atom_id_1' geom_contact no '_geom_contact.atom_site_auth_atom_id_2' geom_contact no '_geom_hbond.atom_site_auth_atom_id_A' geom_hbond no '_geom_hbond.atom_site_auth_atom_id_D' geom_hbond no '_geom_hbond.atom_site_auth_atom_id_H' geom_hbond no '_geom_torsion.atom_site_auth_atom_id_1' geom_torsion no '_geom_torsion.atom_site_auth_atom_id_2' geom_torsion no '_geom_torsion.atom_site_auth_atom_id_3' geom_torsion no '_geom_torsion.atom_site_auth_atom_id_4' geom_torsion no '_struct_conn.ptnr1_auth_atom_id' struct_conn no '_struct_conn.ptnr2_auth_atom_id' struct_conn no '_struct_sheet_hbond.range_1_beg_auth_atom_id' struct_sheet_hbond no '_struct_sheet_hbond.range_1_end_auth_atom_id' struct_sheet_hbond no '_struct_sheet_hbond.range_2_beg_auth_atom_id' struct_sheet_hbond no '_struct_sheet_hbond.range_2_end_auth_atom_id' struct_sheet_hbond no '_struct_site_gen.auth_atom_id' struct_site_gen no loop_ _item_linked.child_name _item_linked.parent_name '_geom_angle.atom_site_auth_atom_id_1' '_atom_site.auth_atom_id' '_geom_angle.atom_site_auth_atom_id_2' '_atom_site.auth_atom_id' '_geom_angle.atom_site_auth_atom_id_3' '_atom_site.auth_atom_id' '_geom_bond.atom_site_auth_atom_id_1' '_atom_site.auth_atom_id' '_geom_bond.atom_site_auth_atom_id_2' '_atom_site.auth_atom_id' '_geom_contact.atom_site_auth_atom_id_1' '_atom_site.auth_atom_id' '_geom_contact.atom_site_auth_atom_id_2' '_atom_site.auth_atom_id' '_geom_hbond.atom_site_auth_atom_id_A' '_atom_site.auth_atom_id' '_geom_hbond.atom_site_auth_atom_id_D' '_atom_site.auth_atom_id' '_geom_hbond.atom_site_auth_atom_id_H' '_atom_site.auth_atom_id' '_geom_torsion.atom_site_auth_atom_id_1' '_atom_site.auth_atom_id' '_geom_torsion.atom_site_auth_atom_id_2' '_atom_site.auth_atom_id' '_geom_torsion.atom_site_auth_atom_id_3' '_atom_site.auth_atom_id' '_geom_torsion.atom_site_auth_atom_id_4' '_atom_site.auth_atom_id' '_struct_conn.ptnr1_auth_atom_id' '_atom_site.auth_atom_id' '_struct_conn.ptnr2_auth_atom_id' '_atom_site.auth_atom_id' '_struct_sheet_hbond.range_1_beg_auth_atom_id' '_atom_site.auth_atom_id' '_struct_sheet_hbond.range_1_end_auth_atom_id' '_atom_site.auth_atom_id' '_struct_sheet_hbond.range_2_beg_auth_atom_id' '_atom_site.auth_atom_id' '_struct_sheet_hbond.range_2_end_auth_atom_id' '_atom_site.auth_atom_id' '_struct_site_gen.auth_atom_id' '_atom_site.auth_atom_id' _item_sub_category.id mm_atom_site_auth_label _item_type.code atcode save_ save__atom_site.auth_comp_id _item_description.description ; An alternative identifier for _atom_site.label_comp_id that may be provided by an author in order to match the identification used in the publication that describes the structure. ; loop_ _item.name _item.category_id _item.mandatory_code '_atom_site.auth_comp_id' atom_site no '_geom_angle.atom_site_auth_comp_id_1' geom_angle no '_geom_angle.atom_site_auth_comp_id_2' geom_angle no '_geom_angle.atom_site_auth_comp_id_3' geom_angle no '_geom_bond.atom_site_auth_comp_id_1' geom_bond no '_geom_bond.atom_site_auth_comp_id_2' geom_bond no '_geom_contact.atom_site_auth_comp_id_1' geom_contact no '_geom_contact.atom_site_auth_comp_id_2' geom_contact no '_geom_hbond.atom_site_auth_comp_id_A' geom_hbond no '_geom_hbond.atom_site_auth_comp_id_D' geom_hbond no '_geom_hbond.atom_site_auth_comp_id_H' geom_hbond no '_geom_torsion.atom_site_auth_comp_id_1' geom_torsion no '_geom_torsion.atom_site_auth_comp_id_2' geom_torsion no '_geom_torsion.atom_site_auth_comp_id_3' geom_torsion no '_geom_torsion.atom_site_auth_comp_id_4' geom_torsion no '_struct_conf.beg_auth_comp_id' struct_conf no '_struct_conf.end_auth_comp_id' struct_conf no '_struct_conn.ptnr1_auth_comp_id' struct_conn no '_struct_conn.ptnr2_auth_comp_id' struct_conn no '_struct_mon_nucl.auth_comp_id' struct_mon_nucl no '_struct_mon_prot.auth_comp_id' struct_mon_prot no '_struct_mon_prot_cis.auth_comp_id' struct_mon_prot_cis no '_struct_sheet_range.beg_auth_comp_id' struct_sheet_range no '_struct_sheet_range.end_auth_comp_id' struct_sheet_range no '_struct_site_gen.auth_comp_id' struct_site_gen no loop_ _item_linked.child_name _item_linked.parent_name '_geom_angle.atom_site_auth_comp_id_1' '_atom_site.auth_comp_id' '_geom_angle.atom_site_auth_comp_id_2' '_atom_site.auth_comp_id' '_geom_angle.atom_site_auth_comp_id_3' '_atom_site.auth_comp_id' '_geom_bond.atom_site_auth_comp_id_1' '_atom_site.auth_comp_id' '_geom_bond.atom_site_auth_comp_id_2' '_atom_site.auth_comp_id' '_geom_contact.atom_site_auth_comp_id_1' '_atom_site.auth_comp_id' '_geom_contact.atom_site_auth_comp_id_2' '_atom_site.auth_comp_id' '_geom_hbond.atom_site_auth_comp_id_A' '_atom_site.auth_comp_id' '_geom_hbond.atom_site_auth_comp_id_D' '_atom_site.auth_comp_id' '_geom_hbond.atom_site_auth_comp_id_H' '_atom_site.auth_comp_id' '_geom_torsion.atom_site_auth_comp_id_1' '_atom_site.auth_comp_id' '_geom_torsion.atom_site_auth_comp_id_2' '_atom_site.auth_comp_id' '_geom_torsion.atom_site_auth_comp_id_3' '_atom_site.auth_comp_id' '_geom_torsion.atom_site_auth_comp_id_4' '_atom_site.auth_comp_id' '_struct_conf.beg_auth_comp_id' '_atom_site.auth_comp_id' '_struct_conf.end_auth_comp_id' '_atom_site.auth_comp_id' '_struct_conn.ptnr1_auth_comp_id' '_atom_site.auth_comp_id' '_struct_conn.ptnr2_auth_comp_id' '_atom_site.auth_comp_id' '_struct_mon_nucl.auth_comp_id' '_atom_site.auth_comp_id' '_struct_mon_prot.auth_comp_id' '_atom_site.auth_comp_id' '_struct_mon_prot_cis.auth_comp_id' '_atom_site.auth_comp_id' '_struct_sheet_range.beg_auth_comp_id' '_atom_site.auth_comp_id' '_struct_sheet_range.end_auth_comp_id' '_atom_site.auth_comp_id' '_struct_site_gen.auth_comp_id' '_atom_site.auth_comp_id' _item_sub_category.id mm_atom_site_auth_label _item_type.code code save_ # # loop_ _pdbx_item_linked_group.category_id _pdbx_item_linked_group.link_group_id _pdbx_item_linked_group.label _pdbx_item_linked_group.context _pdbx_item_linked_group.condition_id #atom_site 1 atom_site:atom_sites_alt:1 . . atom_site 2 atom_site:atom_sites_footnote:2 . . atom_site 3 atom_site:atom_type:3 . . atom_site 4 atom_site:chem_comp:4 . . atom_site 5 atom_site:chem_comp_atom:5 . . atom_site 6 atom_site:chemical_conn_atom:6 . . atom_site 7 atom_site:entity:7 . . atom_site 8 atom_site:entity_poly_seq:8 . . atom_site 9 atom_site:pdbx_poly_seq_scheme:9 . . atom_site 10 atom_site:pdbx_refine_tls:10 . . atom_site 11 atom_site:struct_asym:11 . . atom_site 12 atom_site:struct_ncs_dom:12 . . atom_site_anisotrop 1 atom_site_anisotrop:atom_site:1 . . atom_site_anisotrop 2 atom_site_anisotrop:atom_type:2 . . atom_sites 1 atom_sites:entry:1 . . # # loop_ _pdbx_item_linked_group_list.child_category_id _pdbx_item_linked_group_list.link_group_id _pdbx_item_linked_group_list.child_name _pdbx_item_linked_group_list.parent_name _pdbx_item_linked_group_list.parent_category_id #atom_site 1 '_atom_site.label_alt_id' '_atom_sites_alt.id' atom_sites_alt atom_site 2 '_atom_site.footnote_id' '_atom_sites_footnote.id' atom_sites_footnote atom_site 3 '_atom_site.type_symbol' '_atom_type.symbol' atom_type atom_site 4 '_atom_site.label_comp_id' '_chem_comp.id' chem_comp atom_site 5 '_atom_site.label_atom_id' '_chem_comp_atom.atom_id' chem_comp_atom atom_site 6 '_atom_site.chemical_conn_number' '_chemical_conn_atom.number' chemical_conn_atom atom_site 7 '_atom_site.label_entity_id' '_entity.id' entity atom_site 8 '_atom_site.label_comp_id' '_entity_poly_seq.mon_id' entity_poly_seq atom_site 8 '_atom_site.label_entity_id' '_entity_poly_seq.entity_id' entity_poly_seq atom_site 8 '_atom_site.label_seq_id' '_entity_poly_seq.num' entity_poly_seq atom_site 9 '_atom_site.auth_asym_id' '_pdbx_poly_seq_scheme.pdb_strand_id' pdbx_poly_seq_scheme atom_site 9 '_atom_site.auth_comp_id' '_pdbx_poly_seq_scheme.pdb_mon_id' pdbx_poly_seq_scheme atom_site 9 '_atom_site.auth_seq_id' '_pdbx_poly_seq_scheme.pdb_seq_num' pdbx_poly_seq_scheme atom_site 9 '_atom_site.label_asym_id' '_pdbx_poly_seq_scheme.asym_id' pdbx_poly_seq_scheme atom_site 9 '_atom_site.label_comp_id' '_pdbx_poly_seq_scheme.mon_id' pdbx_poly_seq_scheme atom_site 9 '_atom_site.label_entity_id' '_pdbx_poly_seq_scheme.entity_id' pdbx_poly_seq_scheme atom_site 9 '_atom_site.label_seq_id' '_pdbx_poly_seq_scheme.seq_id' pdbx_poly_seq_scheme atom_site 9 '_atom_site.pdbx_PDB_ins_code' '_pdbx_poly_seq_scheme.pdb_ins_code' pdbx_poly_seq_scheme atom_site 10 '_atom_site.pdbx_tls_group_id' '_pdbx_refine_tls.id' pdbx_refine_tls atom_site 11 '_atom_site.label_asym_id' '_struct_asym.id' struct_asym atom_site 11 '_atom_site.label_entity_id' '_struct_asym.entity_id' struct_asym atom_site 12 '_atom_site.pdbx_ncs_dom_id' '_struct_ncs_dom.id' struct_ncs_dom atom_site_anisotrop 1 '_atom_site_anisotrop.id' '_atom_site.id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_auth_seq_id' '_atom_site.auth_seq_id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_auth_alt_id' '_atom_site.pdbx_auth_alt_id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_auth_asym_id' '_atom_site.auth_asym_id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_auth_atom_id' '_atom_site.auth_atom_id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_auth_comp_id' '_atom_site.auth_comp_id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_label_seq_id' '_atom_site.label_seq_id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_label_alt_id' '_atom_site.label_alt_id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_label_asym_id' '_atom_site.label_asym_id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_label_atom_id' '_atom_site.label_atom_id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_label_comp_id' '_atom_site.label_comp_id' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_PDB_ins_code' '_atom_site.pdbx_PDB_ins_code' atom_site atom_site_anisotrop 1 '_atom_site_anisotrop.pdbx_PDB_model_num' '_atom_site.pdbx_PDB_model_num' atom_site atom_site_anisotrop 2 '_atom_site_anisotrop.type_symbol' '_atom_type.symbol' atom_type atom_sites 1 '_atom_sites.entry_id' '_entry.id' entry #