Data items in the PDBX_VALIDATE_POLYMER_LINKAGE category list the polymer linkages within the entry that are outside of typlical covalent distances. Example 1 <PDBx:pdbx_validate_polymer_linkageCategory> <PDBx:pdbx_validate_polymer_linkage id="1"> <PDBx:PDB_ins_code_1 xsi:nil="true" /> <PDBx:PDB_ins_code_2 xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id_1>B</PDBx:auth_asym_id_1> <PDBx:auth_asym_id_2>B</PDBx:auth_asym_id_2> <PDBx:auth_atom_id_1 xsi:nil="true" /> <PDBx:auth_atom_id_2 xsi:nil="true" /> <PDBx:auth_comp_id_1>VAL</PDBx:auth_comp_id_1> <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2> <PDBx:auth_seq_id_1>107</PDBx:auth_seq_id_1> <PDBx:auth_seq_id_2>108</PDBx:auth_seq_id_2> <PDBx:dist>3.16</PDBx:dist> <PDBx:label_alt_id_1 xsi:nil="true" /> <PDBx:label_alt_id_2 xsi:nil="true" /> </PDBx:pdbx_validate_polymer_linkage> <PDBx:pdbx_validate_polymer_linkage id="2"> <PDBx:PDB_ins_code_1 xsi:nil="true" /> <PDBx:PDB_ins_code_2 xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id_1>B</PDBx:auth_asym_id_1> <PDBx:auth_asym_id_2>B</PDBx:auth_asym_id_2> <PDBx:auth_atom_id_1 xsi:nil="true" /> <PDBx:auth_atom_id_2 xsi:nil="true" /> <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1> <PDBx:auth_comp_id_2>LYS</PDBx:auth_comp_id_2> <PDBx:auth_seq_id_1>110</PDBx:auth_seq_id_1> <PDBx:auth_seq_id_2>110</PDBx:auth_seq_id_2> <PDBx:dist>2.95</PDBx:dist> <PDBx:label_alt_id_1 xsi:nil="true" /> <PDBx:label_alt_id_2 xsi:nil="true" /> </PDBx:pdbx_validate_polymer_linkage> </PDBx:pdbx_validate_polymer_linkageCategory> |
<xsd:complexType name="pdbx_validate_polymer_linkageType"> <xsd:annotation> <xsd:documentation xml:lang="en">Data items in the PDBX_VALIDATE_POLYMER_LINKAGE category list the polymer linkages within the entry that are outside of typlical covalent distances. Example 1 <PDBx:pdbx_validate_polymer_linkageCategory> <PDBx:pdbx_validate_polymer_linkage id="1"> <PDBx:PDB_ins_code_1 xsi:nil="true" /> <PDBx:PDB_ins_code_2 xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id_1>B</PDBx:auth_asym_id_1> <PDBx:auth_asym_id_2>B</PDBx:auth_asym_id_2> <PDBx:auth_atom_id_1 xsi:nil="true" /> <PDBx:auth_atom_id_2 xsi:nil="true" /> <PDBx:auth_comp_id_1>VAL</PDBx:auth_comp_id_1> <PDBx:auth_comp_id_2>ARG</PDBx:auth_comp_id_2> <PDBx:auth_seq_id_1>107</PDBx:auth_seq_id_1> <PDBx:auth_seq_id_2>108</PDBx:auth_seq_id_2> <PDBx:dist>3.16</PDBx:dist> <PDBx:label_alt_id_1 xsi:nil="true" /> <PDBx:label_alt_id_2 xsi:nil="true" /> </PDBx:pdbx_validate_polymer_linkage> <PDBx:pdbx_validate_polymer_linkage id="2"> <PDBx:PDB_ins_code_1 xsi:nil="true" /> <PDBx:PDB_ins_code_2 xsi:nil="true" /> <PDBx:PDB_model_num>1</PDBx:PDB_model_num> <PDBx:auth_asym_id_1>B</PDBx:auth_asym_id_1> <PDBx:auth_asym_id_2>B</PDBx:auth_asym_id_2> <PDBx:auth_atom_id_1 xsi:nil="true" /> <PDBx:auth_atom_id_2 xsi:nil="true" /> <PDBx:auth_comp_id_1>ARG</PDBx:auth_comp_id_1> <PDBx:auth_comp_id_2>LYS</PDBx:auth_comp_id_2> <PDBx:auth_seq_id_1>110</PDBx:auth_seq_id_1> <PDBx:auth_seq_id_2>110</PDBx:auth_seq_id_2> <PDBx:dist>2.95</PDBx:dist> <PDBx:label_alt_id_1 xsi:nil="true" /> <PDBx:label_alt_id_2 xsi:nil="true" /> </PDBx:pdbx_validate_polymer_linkage> </PDBx:pdbx_validate_polymer_linkageCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="pdbx_validate_polymer_linkage" minOccurs="0" maxOccurs="unbounded"> <xsd:complexType> <xsd:all> <xsd:element name="PDB_ins_code_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Optional identifier of the first of the two atom sites that define the linkage. This data item is a pointer to attribute pdbx_PDB_ins_code in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="PDB_ins_code_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Optional identifier of the second of the two atom sites that define the linkage. This data item is a pointer to attribute pdbx_PDB_ins_code in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="PDB_model_num" minOccurs="1" maxOccurs="1" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">The model number for the given linkage</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_asym_id_1" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of the first of the two atom sites that define the linkage. This data item is a pointer to attribute auth_asym_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_asym_id_2" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of the second of the two atom sites that define the linkage. This data item is a pointer to attribute auth_asym_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_atom_id_1" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of the first of the two atom sites that define the linkage. This data item is a pointer to attribute auth_atom_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_atom_id_2" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of the second of the two atom sites that define the linkage. This data item is a pointer to attribute auth_atom_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_comp_id_1" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of the first of the two atom sites that define the linkage. This data item is a pointer to attribute auth_comp_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_comp_id_2" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of the second of the two atom sites that define the linkage. This data item is a pointer to attribute auth_comp_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_seq_id_1" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of the first of the two atom sites that define the linkage. This data item is a pointer to attribute auth_seq_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="auth_seq_id_2" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">Part of the identifier of the second of the two atom sites that define the linkage. This data item is a pointer to attribute auth_seq_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="dist" minOccurs="1" maxOccurs="1"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of the polymer linkage for the two atoms defined.</xsd:documentation> </xsd:annotation> <xsd:complexType> <xsd:simpleContent> <xsd:extension base="xsd:decimal"> <xsd:attribute fixed="angstroms" name="units" type="xsd:string" use="optional"/> </xsd:extension> </xsd:simpleContent> </xsd:complexType> </xsd:element> <xsd:element name="label_alt_id_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">An optional identifier of the first of the two atoms that define the linkage. This data item is a pointer to attribute label_alt_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="label_alt_id_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">An optional identifier of the second of the two atoms that define the linkage. This data item is a pointer to attribute label_alt_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> </xsd:all> <xsd:attribute name="id" use="required" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute id in category pdbx_validate_polymer_linkage must uniquely identify each item in the PDBX_VALIDATE_POLYMER_LINKAGE list. This is an integer serial number.</xsd:documentation> </xsd:annotation> </xsd:attribute> </xsd:complexType> </xsd:element> </xsd:sequence> </xsd:complexType> |