3BPT

Crystal structure of human beta-hydroxyisobutyryl-CoA hydrolase in complex with quercetin

External Resource: Annotation

Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations
Structure Motif: Primary M-CSA Annotation

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2 Family	beta-hydroxyisobutyryl-CoA hydrolase-like	8044876	4004188	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	ClpP/crotonase	8053622	3000033	SCOP2 (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	ECH_1	e3bptA1	A: a/b three-layered sandwiches	X: ClpP/crotonase (From Topology)	H: ClpP/crotonase (From Topology)	T: ClpP/crotonase	F: ECH_1	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.90.226.10	Alpha Beta	Alpha-Beta Complex	2-enoyl-CoA Hydratase	Chain A, domain 1	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A	PF16113	Enoyl-CoA hydratase/isomerase (ECH_2)	Enoyl-CoA hydratase/isomerase	This family contains a diverse set of enzymes including: enoyl-CoA hydratase, napthoate synthase, carnitate racemase, 3-hydroxybutyryl-CoA dehydratase and dodecanoyl-CoA delta-isomerase. This family differs from Pfam:PF00378 in the structure of it's ...	This family contains a diverse set of enzymes including: enoyl-CoA hydratase, napthoate synthase, carnitate racemase, 3-hydroxybutyryl-CoA dehydratase and dodecanoyl-CoA delta-isomerase. This family differs from Pfam:PF00378 in the structure of it's C-terminus.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A	3-hydroxyisobutyryl-CoA hydrolase	hydrolase activity, acting on ester bonds 3-hydroxyisobutyryl-CoA hydrolase activity thiolester hydrolase activity short-chain fatty acyl-CoA hydrolase activity hydrolase activity fatty acyl-CoA hydrolase activity catalytic activity acyl-CoA hydrolase activity	catabolic process oxoacid metabolic process cellular metabolic process carboxylic acid metabolic process amino acid metabolic process primary metabolic process organic acid catabolic process organic acid metabolic process branched-chain amino acid catabolic process cellular catabolic process carboxylic acid catabolic process small molecule metabolic process metabolic process cellular process catabolic process oxoacid metabolic process cellular metabolic process carboxylic acid metabolic process amino acid metabolic process primary metabolic process organic acid catabolic process organic acid metabolic process branched-chain amino acid catabolic process cellular catabolic process carboxylic acid catabolic process small molecule metabolic process metabolic process cellular process branched-chain amino acid metabolic process small molecule catabolic process amino acid catabolic process alpha-amino acid metabolic process alpha-amino acid catabolic process valine catabolic process valine metabolic process	membrane-bounded organelle intracellular organelle intracellular anatomical structure mitochondrion organelle cytoplasm cellular anatomical entity intracellular membrane-bounded organelle membrane-enclosed lumen mitochondrial matrix intracellular organelle lumen organelle lumen

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A	IPR029045	ClpP/crotonase-like domain superfamily	Homologous Superfamily
A	IPR032259	Enoyl-CoA hydratase/isomerase, HIBYL-CoA-H type	Family
A	IPR045004	Enoyl-CoA hydratase/isomerase domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A	Pharos: Q6NVY1	3-hydroxyisobutyryl-CoA hydrolase deficiency Beta-Hydroxyisobutyryl CoA Deacylase Deficiency interstitial cystitis lung cancer ulcerative colitis acute myeloid leukemia exocrine pancreatic carcinoma juvenile idiopathic arthritis lung carcinoma osteoarthritis ovarian cancer adrenal cortex carcinoma intellectual disability Leigh syndrome malignant pancreatic neoplasm 3-hydroxyisobutyryl-CoA hydrolase deficiency Beta-Hydroxyisobutyryl CoA Deacylase Deficiency interstitial cystitis lung cancer ulcerative colitis acute myeloid leukemia exocrine pancreatic carcinoma juvenile idiopathic arthritis lung carcinoma osteoarthritis ovarian cancer adrenal cortex carcinoma intellectual disability Leigh syndrome malignant pancreatic neoplasm osteoarthritis susceptibility 1 pancreatic intraductal papillary-mucinous neoplasm

Structure Motif Annotation: Mechanism and Catalytic Site Atlas M-CSA Database Homepage

Chains	Enzyme Name	Description	Catalytic Residues
A	3-hydroxyisobutyryl-CoA hydrolase M-CSA #345	Hydrolyses 3-hydroxyisobutyryl-CoA (HIBYL-CoA), a saline catabolite. Has high activity toward isobutyryl-CoA. Could be an isobutyryl-CoA dehydrogenase that functions in valine catabolism. Also hydrolyses 3-hydroxypropanoyl-CoA. Involved in the pathway L-valine degradation, which is part of Amino-acid degradation. A member of the crotonase superfamily.	Defined by 4 residues: GLY:A-68 [auth A-98]GLY:A-116 [auth A-146]GLU:A-139 [auth A-169]ASP:A-147 [auth A-177] \| Explore in 3D: M-CSA Motif Definition Search M-CSA Motif EC: 3.1.2.4 (PDB Primary Data) Search M-CSA Motif + EC 3.1.2.4

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.