PDBx:pdbx_validate_close_contactType 

Data items in the PDBX_VALIDATE_CLOSE_CONTACT category list the
atoms within the entry that are in close contact with regard
the distances expected from either covalent bonding or closest
approach by van der Waals contacts. Contacts within
the asymmetric unit are considered.

For those contacts not involving hydrogen a limit of
2.2 Angstroms is used. For contacts involving a hydrogen atom 
a cutoff of 1.6 Angstroms is used.

    Example 1 
<PDBx:pdbx_validate_close_contactCategory>
   <PDBx:pdbx_validate_close_contact 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>36</PDBx:auth_seq_id_1>
      <PDBx:auth_seq_id_2>108</PDBx:auth_seq_id_2>
      <PDBx:dist>2.16</PDBx:dist>
      <PDBx:label_alt_id_1 xsi:nil="true" />
      <PDBx:label_alt_id_2 xsi:nil="true" />
   </PDBx:pdbx_validate_close_contact>
   <PDBx:pdbx_validate_close_contact 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>VAL</PDBx:auth_comp_id_2>
      <PDBx:auth_seq_id_1>108</PDBx:auth_seq_id_1>
      <PDBx:auth_seq_id_2>36</PDBx:auth_seq_id_2>
      <PDBx:dist>2.16</PDBx:dist>
      <PDBx:label_alt_id_1 xsi:nil="true" />
      <PDBx:label_alt_id_2 xsi:nil="true" />
   </PDBx:pdbx_validate_close_contact>
</PDBx:pdbx_validate_close_contactCategory>

Complex Type Information

Model

PDBx:pdbx_validate_close_contact*
Children: PDBx:pdbx_validate_close_contact

Used By

Element PDBx:datablockType/PDBx:pdbx_validate_close_contactCategory

Source 

<xsd:complexType name="pdbx_validate_close_contactType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the PDBX_VALIDATE_CLOSE_CONTACT category list the atoms within the entry that are in close contact with regard the distances expected from either covalent bonding or closest approach by van der Waals contacts. Contacts within the asymmetric unit are considered. For those contacts not involving hydrogen a limit of 2.2 Angstroms is used. For contacts involving a hydrogen atom a cutoff of 1.6 Angstroms is used. Example 1 <PDBx:pdbx_validate_close_contactCategory> <PDBx:pdbx_validate_close_contact 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>36</PDBx:auth_seq_id_1> <PDBx:auth_seq_id_2>108</PDBx:auth_seq_id_2> <PDBx:dist>2.16</PDBx:dist> <PDBx:label_alt_id_1 xsi:nil="true" /> <PDBx:label_alt_id_2 xsi:nil="true" /> </PDBx:pdbx_validate_close_contact> <PDBx:pdbx_validate_close_contact 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>VAL</PDBx:auth_comp_id_2> <PDBx:auth_seq_id_1>108</PDBx:auth_seq_id_1> <PDBx:auth_seq_id_2>36</PDBx:auth_seq_id_2> <PDBx:dist>2.16</PDBx:dist> <PDBx:label_alt_id_1 xsi:nil="true" /> <PDBx:label_alt_id_2 xsi:nil="true" /> </PDBx:pdbx_validate_close_contact> </PDBx:pdbx_validate_close_contactCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="pdbx_validate_close_contact" 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 close contact. 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 close contact. 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 contact</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 close contact. 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 close contact. 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 close contact. 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 close contact. 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 close contact. 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 close contact. 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 close contact. 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 close contact. 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 close contact 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 close contact. 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 close contact. 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="symm_as_xyz_1" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The symmetry of the first of the two atoms define the close contact. The Symmetry equivalent position is given in the 'xyz' representation.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="symm_as_xyz_2" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The symmetry of the second of the two atoms define the close contact. The Symmetry equivalent position is given in the 'xyz' representation.</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_close_contact must uniquely identify each item in the PDBX_VALIDATE_CLOSE_CONTACT list. This is an integer serial number.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>