4KWD

Crystal structure of Aspergillus terreus aristolochene synthase complexed with (1R,8R,9aS)-1,9a-dimethyl-8-(prop-1-en-2-yl)decahydroquinolizin-5-ium

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d4kwda_	All alpha proteins	Terpenoid synthases	Terpenoid synthases	Aristolochene/pentalenene synthase	automated matches	(Aspergillus terreus ) [TaxId: 33178 ],	SCOPe (2.08)
B	d4kwdb_	All alpha proteins	Terpenoid synthases	Terpenoid synthases	Aristolochene/pentalenene synthase	automated matches	(Aspergillus terreus ) [TaxId: 33178 ],	SCOPe (2.08)
C	d4kwdc_	All alpha proteins	Terpenoid synthases	Terpenoid synthases	Aristolochene/pentalenene synthase	automated matches	(Aspergillus terreus ) [TaxId: 33178 ],	SCOPe (2.08)
D	d4kwdd_	All alpha proteins	Terpenoid synthases	Terpenoid synthases	Aristolochene/pentalenene synthase	automated matches	(Aspergillus terreus ) [TaxId: 33178 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	Terpenoid synthases	8084311	3001615	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	Terpenoid synthases	8084311	3001615	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Terpenoid synthases	8084311	3001615	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Terpenoid synthases	8084311	3001615	SCOP2B (2022-06-29)

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	Terpene_synth_C	e4kwdA1	A: alpha bundles	X: Terpenoid synthases (From Topology)	H: Terpenoid synthases (From Topology)	T: Terpenoid synthases	F: Terpene_synth_C	ECOD (1.6)
B	Terpene_synth_C	e4kwdB1	A: alpha bundles	X: Terpenoid synthases (From Topology)	H: Terpenoid synthases (From Topology)	T: Terpenoid synthases	F: Terpene_synth_C	ECOD (1.6)
C	Terpene_synth_C	e4kwdC1	A: alpha bundles	X: Terpenoid synthases (From Topology)	H: Terpenoid synthases (From Topology)	T: Terpenoid synthases	F: Terpene_synth_C	ECOD (1.6)
D	Terpene_synth_C	e4kwdD1	A: alpha bundles	X: Terpenoid synthases (From Topology)	H: Terpenoid synthases (From Topology)	T: Terpenoid synthases	F: Terpene_synth_C	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	1.10.600.10	Mainly Alpha	Orthogonal Bundle	Farnesyl Diphosphate Synthase	Farnesyl Diphosphate Synthase	CATH (4.3.0)
B	1.10.600.10	Mainly Alpha	Orthogonal Bundle	Farnesyl Diphosphate Synthase	Farnesyl Diphosphate Synthase	CATH (4.3.0)
C	1.10.600.10	Mainly Alpha	Orthogonal Bundle	Farnesyl Diphosphate Synthase	Farnesyl Diphosphate Synthase	CATH (4.3.0)
D	1.10.600.10	Mainly Alpha	Orthogonal Bundle	Farnesyl Diphosphate Synthase	Farnesyl Diphosphate Synthase	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF19086	Terpene synthase family 2, C-terminal metal binding (Terpene_syn_C_2)	Terpene synthase family 2, C-terminal metal binding	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	Aristolochene synthase	carbon-oxygen lyase activity, acting on phosphates sesquiterpene synthase activity terpene synthase activity lyase activity catalytic activity carbon-oxygen lyase activity aristolochene synthase activity cation binding ion binding binding metal ion binding small molecule binding	biosynthetic process isoprenoid biosynthetic process lipid biosynthetic process primary metabolic process metabolic process cellular process lipid metabolic process isoprenoid metabolic process small molecule metabolic process	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR008949	Isoprenoid synthase domain superfamily	Homologous Superfamily
A, B, C, D	IPR050225	Terpene_synthase	Unknown

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.