<xsd:complexType name="pdbx_reference_moleculeType">
<xsd:annotation>
<xsd:documentation xml:lang="en">Data items in the PDBX_REFERENCE_MOLECULE category record reference information about small polymer molecules. Example: 1 Actinomycin <PDBx:pdbx_reference_moleculeCategory> <PDBx:pdbx_reference_molecule prd_id="PRD_000001"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:formula>C62 H86 N12 O16</PDBx:formula> <PDBx:formula_weight>1255.5</PDBx:formula_weight> <PDBx:name>Actinomycin D</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> <PDBx:pdbx_reference_molecule prd_id="PRD_000002"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:name>Actinomycin C</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> <PDBx:pdbx_reference_molecule prd_id="PRD_000003"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:formula>C63 H88 N12 O16</PDBx:formula> <PDBx:formula_weight>1269.5</PDBx:formula_weight> <PDBx:name>Actinomycin C2</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> <PDBx:pdbx_reference_molecule prd_id="PRD_000004"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:formula>C64 H90 N12 O16</PDBx:formula> <PDBx:formula_weight>1283.5</PDBx:formula_weight> <PDBx:name>Actinomycin C3</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> <PDBx:pdbx_reference_molecule prd_id="PRD_000005"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:formula>C62 H86 N12 O17</PDBx:formula> <PDBx:formula_weight>1271.5</PDBx:formula_weight> <PDBx:name>Actinomycin X0 beta</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> <PDBx:pdbx_reference_molecule prd_id="PRD_000006"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:formula>C62 H85 F N12 O16</PDBx:formula> <PDBx:formula_weight>1273.49</PDBx:formula_weight> <PDBx:name>8-Fluoro-Actinomycin D</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> <PDBx:pdbx_reference_molecule prd_id="PRD_000007"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:formula>C62 H84 N12 O17</PDBx:formula> <PDBx:formula_weight>1269.4</PDBx:formula_weight> <PDBx:name>Actinomycin X2</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> <PDBx:pdbx_reference_molecule prd_id="PRD_000008"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:formula>C62 H84 N12 O19</PDBx:formula> <PDBx:formula_weight>1301.5</PDBx:formula_weight> <PDBx:name>Actinomycin Z1</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> <PDBx:pdbx_reference_molecule prd_id="PRD_000009"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:formula>C62 H83 Cl N12 O18</PDBx:formula> <PDBx:formula_weight>1319.845</PDBx:formula_weight> <PDBx:name>Actinomycin Z3</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> <PDBx:pdbx_reference_molecule prd_id="PRD_000010"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:formula>C62 H87 N13 O16</PDBx:formula> <PDBx:formula_weight>1270.43</PDBx:formula_weight> <PDBx:name>7-AminoActinomycin</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> <PDBx:pdbx_reference_molecule prd_id="PRD_000011"> <PDBx:class>polypeptide antibiotic</PDBx:class> <PDBx:formula>C61 H85 N13 O16</PDBx:formula> <PDBx:formula_weight>1256.4051</PDBx:formula_weight> <PDBx:name>N8-Actinomycin D</PDBx:name> <PDBx:type>Antitumor Antibiotic</PDBx:type> </PDBx:pdbx_reference_molecule> </PDBx:pdbx_reference_moleculeCategory></xsd:documentation>
</xsd:annotation>
<xsd:sequence>
<xsd:element name="pdbx_reference_molecule" minOccurs="0" maxOccurs="unbounded">
<xsd:complexType>
<xsd:all>
<xsd:element name="chem_comp_id" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">For entities represented as single molecules, the identifier corresponding to the chemical definition for the molecule. 0Z3 CD9</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="class" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">Broadly defines the function of the entity.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="Antagonist"/>
<xsd:enumeration value="Antibiotic"/>
<xsd:enumeration value="Anticancer"/>
<xsd:enumeration value="Anticoagulant"/>
<xsd:enumeration value="Antifungal"/>
<xsd:enumeration value="Antiinflammatory"/>
<xsd:enumeration value="Antimicrobial"/>
<xsd:enumeration value="Antineoplastic"/>
<xsd:enumeration value="Antiparasitic"/>
<xsd:enumeration value="Antiretroviral"/>
<xsd:enumeration value="Anthelmintic"/>
<xsd:enumeration value="Antithrombotic"/>
<xsd:enumeration value="Antitumor"/>
<xsd:enumeration value="Antiviral"/>
<xsd:enumeration value="CASPASE inhibitor"/>
<xsd:enumeration value="Chaperone binding"/>
<xsd:enumeration value="Enzyme inhibitor"/>
<xsd:enumeration value="Growth factor"/>
<xsd:enumeration value="Immunosuppressant"/>
<xsd:enumeration value="Inhibitor"/>
<xsd:enumeration value="Lantibiotic"/>
<xsd:enumeration value="Metabolism"/>
<xsd:enumeration value="Metal transport"/>
<xsd:enumeration value="Oxidation-reduction"/>
<xsd:enumeration value="Receptor"/>
<xsd:enumeration value="Thrombin inhibitor"/>
<xsd:enumeration value="Trypsin inhibitor"/>
<xsd:enumeration value="Toxin"/>
<xsd:enumeration value="Unknown"/>
<xsd:enumeration value="Anticoagulant, Antithrombotic"/>
<xsd:enumeration value="Antibiotic, Antimicrobial"/>
<xsd:enumeration value="Antibiotic, Anthelmintic"/>
<xsd:enumeration value="Antibiotic, Antineoplastic"/>
<xsd:enumeration value="Antimicrobial, Antiretroviral"/>
<xsd:enumeration value="Antimicrobial, Antitumor"/>
<xsd:enumeration value="Antimicrobial, Antiparasitic, Antibiotic"/>
<xsd:enumeration value="Thrombin inhibitor, Trypsin inhibitor"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="class_evidence_code" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Evidence for the assignment of attribute class in category pdbx_reference_molecule</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="compound_details" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Special details about this molecule.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="description" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Description of this molecule.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="formula" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The formula for the reference entity. Formulae are written according to the rules: 1. Only recognised element symbols may be used. 2. Each element symbol is followed by a 'count' number. A count of '1' may be omitted. 3. A space or parenthesis must separate each element symbol and its count, but in general parentheses are not used. 4. The order of elements depends on whether or not carbon is present. If carbon is present, the order should be: C, then H, then the other elements in alphabetical order of their symbol. If carbon is not present, the elements are listed purely in alphabetic order of their symbol. This is the 'Hill' system used by Chemical Abstracts. C18 H19 N7 O8 S</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="formula_weight" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">Formula mass in daltons of the entity.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:decimal">
<xsd:minInclusive value="1.0"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="name" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">A name of the entity. thiostrepton</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="release_status" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">Defines the current PDB release status for this molecule definition.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="REL"/>
<xsd:enumeration value="HOLD"/>
<xsd:enumeration value="OBS"/>
<xsd:enumeration value="WAIT"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="replaced_by" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Assigns the identifier of the reference molecule that has replaced this molecule.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="replaces" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Assigns the identifier for the reference molecule which have been replaced by this reference molecule. Multiple molecule identifier codes should be separated by commas.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="represent_as" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">Defines how this entity is represented in PDB data files.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="polymer"/>
<xsd:enumeration value="single molecule"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="representative_PDB_id_code" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">The PDB accession code for the entry containing a representative example of this molecule.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="type" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">Defines the structural classification of the entity. Peptide-like Macrolide</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="Amino acid"/>
<xsd:enumeration value="Aminoglycoside"/>
<xsd:enumeration value="Anthracycline"/>
<xsd:enumeration value="Anthraquinone"/>
<xsd:enumeration value="Ansamycin"/>
<xsd:enumeration value="Chalkophore"/>
<xsd:enumeration value="Chromophore"/>
<xsd:enumeration value="Glycopeptide"/>
<xsd:enumeration value="Cyclic depsipeptide"/>
<xsd:enumeration value="Cyclic lipopeptide"/>
<xsd:enumeration value="Cyclic peptide"/>
<xsd:enumeration value="Heterocyclic"/>
<xsd:enumeration value="Imino sugar"/>
<xsd:enumeration value="Keto acid"/>
<xsd:enumeration value="Lipoglycopeptide"/>
<xsd:enumeration value="Lipopeptide"/>
<xsd:enumeration value="Macrolide"/>
<xsd:enumeration value="Non-polymer"/>
<xsd:enumeration value="Nucleoside"/>
<xsd:enumeration value="Oligopeptide"/>
<xsd:enumeration value="Oligosaccharide"/>
<xsd:enumeration value="Peptaibol"/>
<xsd:enumeration value="Peptide-like"/>
<xsd:enumeration value="Polycyclic"/>
<xsd:enumeration value="Polypeptide"/>
<xsd:enumeration value="Polysaccharide"/>
<xsd:enumeration value="Quinolone"/>
<xsd:enumeration value="Thiolactone"/>
<xsd:enumeration value="Thiopeptide"/>
<xsd:enumeration value="Siderophore"/>
<xsd:enumeration value="Unknown"/>
<xsd:enumeration value="Chalkophore, Polypeptide"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="type_evidence_code" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Evidence for the assignment of attribute type in category pdbx_reference_molecule</xsd:documentation>
</xsd:annotation>
</xsd:element>
</xsd:all>
<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_molecule is the unique identifier for the reference molecule in this family. By convention this ID uniquely identifies the reference molecule in in the PDB reference dictionary. The ID has the template form PRD_dddddd (e.g. PRD_000001)</xsd:documentation>
</xsd:annotation>
</xsd:attribute>
</xsd:complexType>
</xsd:element>
</xsd:sequence>
</xsd:complexType> |