<xsd:complexType name="pdbx_reference_entity_linkType">
<xsd:annotation>
<xsd:documentation xml:lang="en">Data items in the PDBX_REFERENCE_ENTITY_LINK category give details about the linkages between entities within reference molecules. Example 1 - quinoxaline <PDBx:pdbx_reference_entity_linkCategory> <PDBx:pdbx_reference_entity_link link_id="1" prd_id="PRD_000001"> <PDBx:atom_id_1>N</PDBx:atom_id_1> <PDBx:atom_id_2>C</PDBx:atom_id_2> <PDBx:comp_id_1>DSN</PDBx:comp_id_1> <PDBx:comp_id_2>QUI</PDBx:comp_id_2> <PDBx:component_1>1</PDBx:component_1> <PDBx:component_2>2</PDBx:component_2> <PDBx:entity_seq_num_1>1</PDBx:entity_seq_num_1> <PDBx:entity_seq_num_2 xsi:nil="true" /> <PDBx:link_class>PN</PDBx:link_class> <PDBx:ref_entity_id_1>1</PDBx:ref_entity_id_1> <PDBx:ref_entity_id_2>2</PDBx:ref_entity_id_2> <PDBx:value_order>single</PDBx:value_order> </PDBx:pdbx_reference_entity_link> <PDBx:pdbx_reference_entity_link link_id="2" prd_id="PRD_000001"> <PDBx:atom_id_1>N</PDBx:atom_id_1> <PDBx:atom_id_2>C</PDBx:atom_id_2> <PDBx:comp_id_1>DSN</PDBx:comp_id_1> <PDBx:comp_id_2>QUI</PDBx:comp_id_2> <PDBx:component_1>1</PDBx:component_1> <PDBx:component_2>3</PDBx:component_2> <PDBx:entity_seq_num_1>5</PDBx:entity_seq_num_1> <PDBx:entity_seq_num_2 xsi:nil="true" /> <PDBx:link_class>PN</PDBx:link_class> <PDBx:ref_entity_id_1>1</PDBx:ref_entity_id_1> <PDBx:ref_entity_id_2>3</PDBx:ref_entity_id_2> <PDBx:value_order>single</PDBx:value_order> </PDBx:pdbx_reference_entity_link> </PDBx:pdbx_reference_entity_linkCategory></xsd:documentation>
</xsd:annotation>
<xsd:sequence>
<xsd:element name="pdbx_reference_entity_link" minOccurs="0" maxOccurs="unbounded">
<xsd:complexType>
<xsd:all>
<xsd:element name="atom_id_1" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The atom identifier/name in the first of the two entities containing the linkage.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="atom_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The atom identifier/name in the second of the two entities containing the linkage.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="comp_id_1" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The component identifier in the first of the two entities containing the linkage. For polymer entities, this data item is a pointer to attribute mon_id in category pdbx_reference_entity_poly_seq in the PDBX_REFERENCE_ENTITY_POLY_SEQ category. For non-polymer entities, this data item is a pointer to attribute chem_comp_id in category pdbx_reference_entity_nonpoly in the PDBX_REFERENCE_ENTITY_NONPOLY category.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="comp_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The component identifier in the second of the two entities containing the linkage. For polymer entities, this data item is a pointer to attribute mon_id in category pdbx_reference_entity_poly_seq in the PDBX_REFERENCE_ENTITY_POLY_SEQ category. For non-polymer entities, this data item is a pointer to attribute chem_comp_id in category pdbx_reference_entity_nonpoly in the PDBX_REFERENCE_ENTITY_NONPOLY category.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="component_1" minOccurs="1" maxOccurs="1" type="xsd:integer">
<xsd:annotation>
<xsd:documentation xml:lang="en">The entity component identifier for the first of two entities containing the linkage.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="component_2" minOccurs="1" maxOccurs="1" type="xsd:integer">
<xsd:annotation>
<xsd:documentation xml:lang="en">The entity component identifier for the second of two entities containing the linkage.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="details" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">A description of special aspects of a linkage between chemical components in the structure.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="entity_seq_num_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
<xsd:annotation>
<xsd:documentation xml:lang="en">For a polymer entity, the sequence number in the first of the two entities containing the linkage. This data item is a pointer to attribute num in category pdbx_reference_entity_poly_seq in the PDBX_REFERENCE_ENTITY_POLY_SEQ category.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="entity_seq_num_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
<xsd:annotation>
<xsd:documentation xml:lang="en">For a polymer entity, the sequence number in the second of the two entities containing the linkage. This data item is a pointer to attribute num in category pdbx_reference_entity_poly_seq in the PDBX_REFERENCE_ENTITY_POLY_SEQ category.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="link_class" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">A code indicating the entity types involved in the linkage.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="PP"/>
<xsd:enumeration value="PN"/>
<xsd:enumeration value="NP"/>
<xsd:enumeration value="NN"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="nonpoly_res_num_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The residue number for the first of two entities containing the linkage.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="nonpoly_res_num_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The residue number for the second of two entities containing the linkage.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="ref_entity_id_1" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The reference entity id of the first of the two entities joined by the linkage. This data item is a pointer to attribute ref_entity_id in category pdbx_reference_entity_list in the PDBX_REFERENCE_ENTITY_LIST category.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="ref_entity_id_2" minOccurs="1" maxOccurs="1" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The reference entity id of the second of the two entities joined by the linkage. This data item is a pointer to attribute ref_entity_id in category pdbx_reference_entity_list in the PDBX_REFERENCE_ENTITY_LIST category.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="value_order" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">The bond order target for the chemical linkage.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="sing"/>
<xsd:enumeration value="doub"/>
<xsd:enumeration value="trip"/>
<xsd:enumeration value="quad"/>
<xsd:enumeration value="arom"/>
<xsd:enumeration value="poly"/>
<xsd:enumeration value="delo"/>
<xsd:enumeration value="pi"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
</xsd:all>
<xsd:attribute name="link_id" use="required" type="xsd:integer">
<xsd:annotation>
<xsd:documentation xml:lang="en">The value of attribute link_id in category pdbx_reference_entity_link uniquely identifies linkages between entities with a molecule.</xsd:documentation>
</xsd:annotation>
</xsd:attribute>
<xsd:attribute name="prd_id" use="required" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The value of attribute prd_id in category pdbx_reference_entity_link is a reference attribute prd_id in category pdbx_reference_entity_list in the PDBX_REFERENCE_ENTITY_LIST category.</xsd:documentation>
</xsd:annotation>
</xsd:attribute>
</xsd:complexType>
</xsd:element>
</xsd:sequence>
</xsd:complexType> |