2YIM

The enolisation chemistry of a thioester-dependent racemase: the 1.4 A crystal structure of a complex with a planar reaction intermediate analogue

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	d2yima_	Alpha and beta proteins (a/b)	CoA-transferase family III (CaiB/BaiF)	CoA-transferase family III (CaiB/BaiF)	CoA-transferase family III (CaiB/BaiF)	2-methylacyl-CoA racemase Mcr	(Mycobacterium tuberculosis H37Rv ) [TaxId: 83332 ],	SCOPe (2.08)
B	d2yimb_	Alpha and beta proteins (a/b)	CoA-transferase family III (CaiB/BaiF)	CoA-transferase family III (CaiB/BaiF)	CoA-transferase family III (CaiB/BaiF)	2-methylacyl-CoA racemase Mcr	(Mycobacterium tuberculosis H37Rv ) [TaxId: 83332 ],	SCOPe (2.08)
C	d2yimc_	Alpha and beta proteins (a/b)	CoA-transferase family III (CaiB/BaiF)	CoA-transferase family III (CaiB/BaiF)	CoA-transferase family III (CaiB/BaiF)	automated matches	(Mycobacterium tuberculosis H37Rv ) [TaxId: 83332 ],	SCOPe (2.08)
D	d2yimd_	Alpha and beta proteins (a/b)	CoA-transferase family III (CaiB/BaiF)	CoA-transferase family III (CaiB/BaiF)	CoA-transferase family III (CaiB/BaiF)	2-methylacyl-CoA racemase Mcr	(Mycobacterium tuberculosis H37Rv ) [TaxId: 83332 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2B Superfamily	CoA-transferase family III (CaiB/BaiF)	8033648	3000607	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	CoA-transferase family III (CaiB/BaiF)	8033648	3000607	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	CoA-transferase family III (CaiB/BaiF)	8033648	3000607	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	CoA-transferase family III (CaiB/BaiF)	8033648	3000607	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	CoA_transf_3	e2yimA1	A: a/b three-layered sandwiches	X: SurE-like/CoA-transferase family III (CaiB/BaiF) (From Topology)	H: SurE-like/CoA-transferase family III (CaiB/BaiF) (From Topology)	T: SurE-like/CoA-transferase family III (CaiB/BaiF)	F: CoA_transf_3	ECOD (1.6)
B	CoA_transf_3	e2yimB1	A: a/b three-layered sandwiches	X: SurE-like/CoA-transferase family III (CaiB/BaiF) (From Topology)	H: SurE-like/CoA-transferase family III (CaiB/BaiF) (From Topology)	T: SurE-like/CoA-transferase family III (CaiB/BaiF)	F: CoA_transf_3	ECOD (1.6)
C	CoA_transf_3	e2yimC1	A: a/b three-layered sandwiches	X: SurE-like/CoA-transferase family III (CaiB/BaiF) (From Topology)	H: SurE-like/CoA-transferase family III (CaiB/BaiF) (From Topology)	T: SurE-like/CoA-transferase family III (CaiB/BaiF)	F: CoA_transf_3	ECOD (1.6)
D	CoA_transf_3	e2yimD1	A: a/b three-layered sandwiches	X: SurE-like/CoA-transferase family III (CaiB/BaiF) (From Topology)	H: SurE-like/CoA-transferase family III (CaiB/BaiF) (From Topology)	T: SurE-like/CoA-transferase family III (CaiB/BaiF)	F: CoA_transf_3	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.10540	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Crotonobetainyl-coa:carnitine coa-transferase	CATH (4.3.0)
A	3.30.1540.10	Alpha Beta	2-Layer Sandwich	formyl-coa transferase, domain 3	formyl-coa transferase, domain 3	CATH (4.3.0)
B	3.40.50.10540	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Crotonobetainyl-coa:carnitine coa-transferase	CATH (4.3.0)
B	3.30.1540.10	Alpha Beta	2-Layer Sandwich	formyl-coa transferase, domain 3	formyl-coa transferase, domain 3	CATH (4.3.0)
C	3.40.50.10540	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Crotonobetainyl-coa:carnitine coa-transferase	CATH (4.3.0)
C	3.30.1540.10	Alpha Beta	2-Layer Sandwich	formyl-coa transferase, domain 3	formyl-coa transferase, domain 3	CATH (4.3.0)
D	3.40.50.10540	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Crotonobetainyl-coa:carnitine coa-transferase	CATH (4.3.0)
D	3.30.1540.10	Alpha Beta	2-Layer Sandwich	formyl-coa transferase, domain 3	formyl-coa transferase, domain 3	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF02515	CoA-transferase family III (CoA_transf_3)	CoA-transferase family III	-	Family

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	PROBABLE ALPHA-METHYLACYL-COA RACEMASE MCR (2-METHYLACYL-COA RACEMASE) (2-ARYLPROPIONYL-COA EPIMERASE )	isomerase activity racemase and epimerase activity alpha-methylacyl-CoA racemase activity catalytic activity identical protein binding protein binding binding protein homodimerization activity protein dimerization activity	nucleoside phosphate metabolic process primary 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 nucleoside phosphate metabolic process primary 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 lipid metabolic process	-

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR050509	Coenzyme A-transferase family III	Family
A, B, C, D	IPR023606	CoA-transferase family III domain 1 superfamily	Homologous Superfamily
A, B, C, D	IPR044855	CoA-transferase family III domain 3 superfamily	Homologous Superfamily
A, B, C, D	IPR003673	CoA-transferase family III	Family

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.