3V4X

The Biochemical and Structural Basis for Inhibition of Enterococcus faecalis HMG-CoA Synthase, mvaS, by Hymeglusin

External Resource: Annotation

Domain Annotation: SCOP/SCOPe 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	d3v4xa2	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, C-terminal domain	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
A	d3v4xa1	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, N-terminal domain	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
A	d3v4xa3	Artifacts	Tags	Tags	Tags	N-terminal Tags	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
D	d3v4xd2	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, C-terminal domain	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
D	d3v4xd1	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, N-terminal domain	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
D	d3v4xd3	Artifacts	Tags	Tags	Tags	N-terminal Tags	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
B	d3v4xb2	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, C-terminal domain	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
B	d3v4xb1	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, N-terminal domain	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
B	d3v4xb3	Artifacts	Tags	Tags	Tags	N-terminal Tags	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
C	d3v4xc2	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, C-terminal domain	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
C	d3v4xc1	Alpha and beta proteins (a/b)	Thiolase-like	Thiolase-like	Chalcone synthase-like	3-hydroxy-3-methylglutaryl CoA synthase MvaS, N-terminal domain	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)
C	d3v4xc3	Artifacts	Tags	Tags	Tags	N-terminal Tags	(Enterococcus faecalis ) [TaxId: 1351 ],	SCOPe (2.08)

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	e3v4xA2	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	e3v4xA1	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	e3v4xD2	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	e3v4xD1	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	e3v4xB2	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	e3v4xB1	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	e3v4xC2	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	e3v4xC1	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)
D	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)

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
A, B, C, D	PF01154	Hydroxymethylglutaryl-coenzyme A synthase N terminal (HMG_CoA_synt_N)	Hydroxymethylglutaryl-coenzyme A synthase N terminal	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	HMG-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

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.