1XPM

Crystal Structure of Staphylococcus aureus HMG-COA Synthase with HMG-CoA and Acetoacetyl-COA and Acetylated Cysteine

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
Protein Modification Annotation

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

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d1xpma2	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, C-terminal domain	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
A	d1xpma1	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, N-terminal domain	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
A	d1xpma4	Artifacts	Tags	Tags	Tags	C-terminal Tags	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
A	d1xpma3	Artifacts	Tags	Tags	Tags	N-terminal Tags	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
B	d1xpmb2	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, C-terminal domain	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
B	d1xpmb1	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, N-terminal domain	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
B	d1xpmb4	Artifacts	Tags	Tags	Tags	C-terminal Tags	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
B	d1xpmb3	Artifacts	Tags	Tags	Tags	N-terminal Tags	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
C	d1xpmc2	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, C-terminal domain	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
C	d1xpmc1	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, N-terminal domain	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
C	d1xpmc4	Artifacts	Tags	Tags	Tags	C-terminal Tags	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
C	d1xpmc3	Artifacts	Tags	Tags	Tags	N-terminal Tags	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
D	d1xpmd2	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, C-terminal domain	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
D	d1xpmd1	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, N-terminal domain	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
D	d1xpmd4	Artifacts	Tags	Tags	Tags	C-terminal Tags	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)
D	d1xpmd3	Artifacts	Tags	Tags	Tags	N-terminal Tags	(Staphylococcus aureus ) [TaxId: 1280 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2 Family	Chalcone synthase-like	8031729	4000864	SCOP2 (2022-06-29)
A	SCOP2 Family	Chalcone synthase-like	8031730	4000864	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	Thiolase-like	8044107	3000122	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	Thiolase-like	8044108	3000122	SCOP2 (2022-06-29)
B	SCOP2B Superfamily	Thiolase-like	8044108	3000122	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	Thiolase-like	8044108	3000122	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	Thiolase-like	8044108	3000122	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	HMG_CoA_synt_C	e1xpmA2	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: HMG_CoA_synt_C	ECOD (1.6)
A	HMG_CoA_synt_N	e1xpmA1	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: HMG_CoA_synt_N	ECOD (1.6)
B	HMG_CoA_synt_C	e1xpmB2	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: HMG_CoA_synt_C	ECOD (1.6)
B	HMG_CoA_synt_N	e1xpmB1	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: HMG_CoA_synt_N	ECOD (1.6)
C	HMG_CoA_synt_C	e1xpmC2	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: HMG_CoA_synt_C	ECOD (1.6)
C	HMG_CoA_synt_N	e1xpmC1	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: HMG_CoA_synt_N	ECOD (1.6)
D	HMG_CoA_synt_C	e1xpmD2	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: HMG_CoA_synt_C	ECOD (1.6)
D	HMG_CoA_synt_N	e1xpmD1	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: HMG_CoA_synt_N	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.47.10	Alpha Beta	3-Layer(aba) Sandwich	Peroxisomal Thiolase	Chain A, domain 1	CATH (4.3.0)
B	3.40.47.10	Alpha Beta	3-Layer(aba) Sandwich	Peroxisomal Thiolase	Chain A, domain 1	CATH (4.3.0)
C	3.40.47.10	Alpha Beta	3-Layer(aba) Sandwich	Peroxisomal Thiolase	Chain A, domain 1	CATH (4.3.0)
D	3.40.47.10	Alpha Beta	3-Layer(aba) Sandwich	Peroxisomal Thiolase	Chain A, domain 1	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF08540	Hydroxymethylglutaryl-coenzyme A synthase C terminal (HMG_CoA_synt_C)	Hydroxymethylglutaryl-coenzyme A synthase C terminal	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	3-hydroxy-3-methylglutaryl CoA synthase	hydroxymethylglutaryl-CoA synthase activity acyltransferase activity acyltransferase activity, acyl groups converted into alkyl on transfer transferase activity catalytic activity	nucleoside phosphate metabolic process primary metabolic process acetyl-CoA metabolic process purine-containing compound metabolic process nucleobase-containing compound metabolic process acyl-CoA metabolic process organophosphate metabolic process nucleobase-containing small molecule metabolic process phosphate-containing compound metabolic process metabolic process cellular process sulfur compound metabolic process small molecule metabolic process amide metabolic process nucleoside phosphate metabolic process primary metabolic process acetyl-CoA metabolic process purine-containing compound metabolic process nucleobase-containing compound metabolic process acyl-CoA metabolic process organophosphate metabolic process nucleobase-containing small molecule metabolic process phosphate-containing compound metabolic process metabolic process cellular process sulfur compound metabolic process small molecule metabolic process amide metabolic process thioester metabolic process phosphorus metabolic process isoprenoid biosynthetic process lipid biosynthetic process terpenoid biosynthetic process phospholipid biosynthetic process farnesyl diphosphate metabolic process phospholipid metabolic process biosynthetic process farnesyl diphosphate biosynthetic process organophosphate biosynthetic process isoprenoid biosynthetic process via mevalonate farnesyl diphosphate biosynthetic process, mevalonate pathway terpenoid metabolic process lipid metabolic process isoprenoid metabolic process	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR016039	Thiolase-like	Homologous Superfamily
A, B, C, D	IPR013528	Hydroxymethylglutaryl-coenzyme A synthase, N-terminal	Domain
A, B, C, D	IPR011554	Hydroxymethylglutaryl-CoA synthase, prokaryotic	Family
A, B, C, D	IPR013746	Hydroxymethylglutaryl-coenzyme A synthase, C-terminal domain	Domain

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
A, B, C, D	SCY	Parent Component: CYS RESID: AA0056 PSI-MOD : S-acetyl-L-cysteine MOD:00065

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.