Data items in the STRUCT_CONF category record details about the backbone conformation of a segment of polymer. Data items in the STRUCT_CONF_TYPE category define the criteria used to identify the backbone conformations. Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. <PDBx:struct_confCategory> <PDBx:struct_conf id="HELX1"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>ARG</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>87</PDBx:beg_label_seq_id> <PDBx:conf_type_id>HELX_RH_AL_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>GLN</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>92</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="HELX2"> <PDBx:beg_label_asym_id>B</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>ARG</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>287</PDBx:beg_label_seq_id> <PDBx:conf_type_id>HELX_RH_AL_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>B</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>GLN</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>292</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="STRN1"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>PRO</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>1</PDBx:beg_label_seq_id> <PDBx:conf_type_id>STRN_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>LEU</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>5</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="STRN2"> <PDBx:beg_label_asym_id>B</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>CYS</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>295</PDBx:beg_label_seq_id> <PDBx:conf_type_id>STRN_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>B</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>PHE</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>299</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="STRN3"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>CYS</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>95</PDBx:beg_label_seq_id> <PDBx:conf_type_id>STRN_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>PHE</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>299</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="STRN4"> <PDBx:beg_label_asym_id>B</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>PRO</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>201</PDBx:beg_label_seq_id> <PDBx:conf_type_id>STRN_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>B</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>LEU</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>205</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="TURN1"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>ILE</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>15</PDBx:beg_label_seq_id> <PDBx:conf_type_id>TURN_TY1P_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>GLN</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>18</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="TURN2"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>GLY</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>49</PDBx:beg_label_seq_id> <PDBx:conf_type_id>TURN_TY2_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>GLY</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>52</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="TURN3"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>ILE</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>55</PDBx:beg_label_seq_id> <PDBx:conf_type_id>TURN_TY1P_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>HIS</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>69</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="TURN4"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>THR</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>91</PDBx:beg_label_seq_id> <PDBx:conf_type_id>TURN_TY1_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>GLY</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>94</PDBx:end_label_seq_id> </PDBx:struct_conf> </PDBx:struct_confCategory> |
<xsd:complexType name="struct_confType"> <xsd:annotation> <xsd:documentation xml:lang="en">Data items in the STRUCT_CONF category record details about the backbone conformation of a segment of polymer. Data items in the STRUCT_CONF_TYPE category define the criteria used to identify the backbone conformations. Example 1 - based on PDB entry 5HVP and laboratory records for the structure corresponding to PDB entry 5HVP. <PDBx:struct_confCategory> <PDBx:struct_conf id="HELX1"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>ARG</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>87</PDBx:beg_label_seq_id> <PDBx:conf_type_id>HELX_RH_AL_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>GLN</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>92</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="HELX2"> <PDBx:beg_label_asym_id>B</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>ARG</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>287</PDBx:beg_label_seq_id> <PDBx:conf_type_id>HELX_RH_AL_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>B</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>GLN</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>292</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="STRN1"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>PRO</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>1</PDBx:beg_label_seq_id> <PDBx:conf_type_id>STRN_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>LEU</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>5</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="STRN2"> <PDBx:beg_label_asym_id>B</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>CYS</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>295</PDBx:beg_label_seq_id> <PDBx:conf_type_id>STRN_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>B</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>PHE</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>299</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="STRN3"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>CYS</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>95</PDBx:beg_label_seq_id> <PDBx:conf_type_id>STRN_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>PHE</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>299</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="STRN4"> <PDBx:beg_label_asym_id>B</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>PRO</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>201</PDBx:beg_label_seq_id> <PDBx:conf_type_id>STRN_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>B</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>LEU</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>205</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="TURN1"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>ILE</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>15</PDBx:beg_label_seq_id> <PDBx:conf_type_id>TURN_TY1P_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>GLN</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>18</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="TURN2"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>GLY</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>49</PDBx:beg_label_seq_id> <PDBx:conf_type_id>TURN_TY2_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>GLY</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>52</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="TURN3"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>ILE</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>55</PDBx:beg_label_seq_id> <PDBx:conf_type_id>TURN_TY1P_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>HIS</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>69</PDBx:end_label_seq_id> </PDBx:struct_conf> <PDBx:struct_conf id="TURN4"> <PDBx:beg_label_asym_id>A</PDBx:beg_label_asym_id> <PDBx:beg_label_comp_id>THR</PDBx:beg_label_comp_id> <PDBx:beg_label_seq_id>91</PDBx:beg_label_seq_id> <PDBx:conf_type_id>TURN_TY1_P</PDBx:conf_type_id> <PDBx:details xsi:nil="true" /> <PDBx:end_label_asym_id>A</PDBx:end_label_asym_id> <PDBx:end_label_comp_id>GLY</PDBx:end_label_comp_id> <PDBx:end_label_seq_id>94</PDBx:end_label_seq_id> </PDBx:struct_conf> </PDBx:struct_confCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="struct_conf" minOccurs="0" maxOccurs="unbounded"> <xsd:complexType> <xsd:all> <xsd:element name="beg_auth_asym_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment begins. 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="beg_auth_comp_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment begins. 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="beg_auth_seq_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment begins. 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="beg_label_asym_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment begins. This data item is a pointer to attribute label_asym_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="beg_label_comp_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment begins. This data item is a pointer to attribute label_comp_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="beg_label_seq_id" minOccurs="1" maxOccurs="1" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment begins. This data item is a pointer to attribute label_seq_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="conf_type_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category struct_conf_type in the STRUCT_CONF_TYPE category.</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 the conformation assignment.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="end_auth_asym_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment ends. 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="end_auth_comp_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment ends. 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="end_auth_seq_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment ends. 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="end_label_asym_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment ends. This data item is a pointer to attribute label_asym_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="end_label_comp_id" minOccurs="1" maxOccurs="1" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment ends. This data item is a pointer to attribute label_comp_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="end_label_seq_id" minOccurs="1" maxOccurs="1" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment ends. This data item is a pointer to attribute label_seq_id in category atom_site in the ATOM_SITE category.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="pdbx_PDB_helix_class" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">This item is a place holder for the helix class used in the PDB HELIX record.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="pdbx_PDB_helix_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A placeholder for the helix identifier of the PDB HELIX record.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="pdbx_PDB_helix_length" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">A placeholder for the lengths of the helix of the PDB HELIX record.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="pdbx_beg_PDB_ins_code" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment starts.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="pdbx_end_PDB_ins_code" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A component of the identifier for the residue at which the conformation segment ends.</xsd:documentation> </xsd:annotation> </xsd:element> </xsd:all> <xsd:attribute name="id" use="required" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute id in category struct_conf must uniquely identify a record in the STRUCT_CONF list. Note that this item need not be a number; it can be any unique identifier.</xsd:documentation> </xsd:annotation> </xsd:attribute> </xsd:complexType> </xsd:element> </xsd:sequence> </xsd:complexType> |