Data items in the CHEM_COMP_CHIR_ATOM category enumerate the atoms bonded to a chiral atom within a chemical component. Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. <PDBx:chem_comp_chir_atomCategory> <PDBx:chem_comp_chir_atom atom_id="N" chir_id="1" comp_id="phe"></PDBx:chem_comp_chir_atom> <PDBx:chem_comp_chir_atom atom_id="C" chir_id="1" comp_id="phe"></PDBx:chem_comp_chir_atom> <PDBx:chem_comp_chir_atom atom_id="CB" chir_id="1" comp_id="phe"></PDBx:chem_comp_chir_atom> <PDBx:chem_comp_chir_atom atom_id="N" chir_id="1" comp_id="val"></PDBx:chem_comp_chir_atom> <PDBx:chem_comp_chir_atom atom_id="C" chir_id="1" comp_id="val"></PDBx:chem_comp_chir_atom> <PDBx:chem_comp_chir_atom atom_id="CB" chir_id="1" comp_id="val"></PDBx:chem_comp_chir_atom> </PDBx:chem_comp_chir_atomCategory> |
<xsd:complexType name="chem_comp_chir_atomType"> <xsd:annotation> <xsd:documentation xml:lang="en">Data items in the CHEM_COMP_CHIR_ATOM category enumerate the atoms bonded to a chiral atom within a chemical component. Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. <PDBx:chem_comp_chir_atomCategory> <PDBx:chem_comp_chir_atom atom_id="N" chir_id="1" comp_id="phe"></PDBx:chem_comp_chir_atom> <PDBx:chem_comp_chir_atom atom_id="C" chir_id="1" comp_id="phe"></PDBx:chem_comp_chir_atom> <PDBx:chem_comp_chir_atom atom_id="CB" chir_id="1" comp_id="phe"></PDBx:chem_comp_chir_atom> <PDBx:chem_comp_chir_atom atom_id="N" chir_id="1" comp_id="val"></PDBx:chem_comp_chir_atom> <PDBx:chem_comp_chir_atom atom_id="C" chir_id="1" comp_id="val"></PDBx:chem_comp_chir_atom> <PDBx:chem_comp_chir_atom atom_id="CB" chir_id="1" comp_id="val"></PDBx:chem_comp_chir_atom> </PDBx:chem_comp_chir_atomCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="chem_comp_chir_atom" minOccurs="0" maxOccurs="unbounded"> <xsd:complexType> <xsd:all> <xsd:element name="dev" minOccurs="0" maxOccurs="1" nillable="true"> <xsd:annotation> <xsd:documentation xml:lang="en">The standard uncertainty (estimated standard deviation) of the position of this atom from the plane defined by all of the atoms in the plane.</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:all> <xsd:attribute name="atom_id" use="required" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">The ID of an atom bonded to the chiral atom. This data item is a pointer to attribute atom_id in category chem_comp_atom in the CHEM_COMP_ATOM category.</xsd:documentation> </xsd:annotation> </xsd:attribute> <xsd:attribute name="chir_id" use="required" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category chem_comp_chir in the CHEM_COMP_CHIR category.</xsd:documentation> </xsd:annotation> </xsd:attribute> <xsd:attribute name="comp_id" use="required" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category chem_comp in the CHEM_COMP category.</xsd:documentation> </xsd:annotation> </xsd:attribute> </xsd:complexType> </xsd:element> </xsd:sequence> </xsd:complexType> |