2IBU

Crystallographic and kinetic studies of human mitochondrial acetoacetyl-CoA thiolase (T2): the importance of potassium and chloride for its structure and function

External Resource: Annotation

Domain Annotation: ECOD Classification
Domain Annotation: CATH
Protein Family Annotation
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations
Protein Modification Annotation

Domain Annotation: ECOD Classification ECOD Database Homepage

Chains	Family Name	Domain Identifier	Architecture	Possible Homology	Homology	Topology	Family	Provenance Source (Version)
A	Thiolase_C	e2ibuA2	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: Thiolase_C	ECOD (1.6)
A	Thiolase_N	e2ibuA1	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: Thiolase_N	ECOD (1.6)
B	Thiolase_C	e2ibuB2	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: Thiolase_C	ECOD (1.6)
B	Thiolase_N	e2ibuB1	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: Thiolase_N	ECOD (1.6)
C	Thiolase_C	e2ibuC2	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: Thiolase_C	ECOD (1.6)
C	Thiolase_N	e2ibuC1	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: Thiolase_N	ECOD (1.6)
D	Thiolase_C	e2ibuD2	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: Thiolase_C	ECOD (1.6)
D	Thiolase_N	e2ibuD1	A: a/b three-layered sandwiches	X: Thiolase-like (From Topology)	H: Thiolase-like (From Topology)	T: Thiolase-like	F: Thiolase_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	PF02803	Thiolase, C-terminal domain (Thiolase_C)	Thiolase, C-terminal domain	Thiolase is reported to be structurally related to beta-ketoacyl synthase (Pfam:PF00109), and also chalcone synthase.	Domain
A, B, C, D	PF00108	Thiolase, N-terminal domain (Thiolase_N)	Thiolase, N-terminal domain	Thiolase is reported to be structurally related to beta-ketoacyl synthase (Pfam:PF00109), and also chalcone synthase.	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	Acetyl-CoA acetyltransferase	cation binding ion binding binding potassium ion binding alkali metal ion binding metal ion binding small molecule binding acetyl-CoA C-acetyltransferase activity acetyltransferase activity acyltransferase activity acyltransferase activity, transferring groups other than amino-acyl groups transferase activity acetyl-CoA C-acyltransferase activity C-acyltransferase activity cation binding ion binding binding potassium ion binding alkali metal ion binding metal ion binding small molecule binding acetyl-CoA C-acetyltransferase activity acetyltransferase activity acyltransferase activity acyltransferase activity, transferring groups other than amino-acyl groups transferase activity acetyl-CoA C-acyltransferase activity C-acyltransferase activity catalytic activity C-acetyltransferase activity coenzyme A binding amide binding nucleoside phosphate binding organic cyclic compound binding anion binding heterocyclic compound binding sulfur compound binding cholesterol O-acyltransferase activity O-acyltransferase activity sterol O-acyltransferase activity protein binding enzyme binding identical protein binding	developmental process multicellular organism development multicellular organismal process hepaticobiliary system development gland development animal organ development anatomical structure development liver development system development kidney epithelium development metanephric epithelium development nephron tubule development metanephric proximal tubule development renal system development developmental process multicellular organism development multicellular organismal process hepaticobiliary system development gland development animal organ development anatomical structure development liver development system development kidney epithelium development metanephric epithelium development nephron tubule development metanephric proximal tubule development renal system development metanephros development renal tubule development nephron development metanephric nephron epithelium development nephron epithelium development epithelium development tube development proximal tubule development metanephric nephron tubule development proximal convoluted tubule development tissue development metanephric proximal convoluted tubule development metanephric tubule development kidney development connective tissue development adipose tissue development catabolic process lipid catabolic process ketone body catabolic process primary metabolic process generation of precursor metabolites and energy fatty acid derivative catabolic process fatty acid derivative metabolic process small molecule metabolic process metabolic process cellular process ketone body metabolic process small molecule catabolic process lipid metabolic process fatty acid metabolic process oxoacid metabolic process carboxylic acid metabolic process lipid modification organic acid catabolic process organic acid metabolic process fatty acid catabolic process cellular catabolic process monocarboxylic acid catabolic process fatty acid oxidation carboxylic acid catabolic process fatty acid beta-oxidation monocarboxylic acid metabolic process lipid oxidation thioester biosynthetic process acetyl-CoA metabolic process nucleobase-containing compound metabolic process acyl-CoA metabolic process nucleobase-containing small molecule metabolic process purine-containing compound biosynthetic process acyl-CoA biosynthetic process phosphate-containing compound metabolic process sulfur compound metabolic process amide metabolic process thioester metabolic process phosphorus metabolic process nucleoside phosphate metabolic process amide biosynthetic process nucleobase-containing compound biosynthetic process purine-containing compound metabolic process acetyl-CoA biosynthetic process sulfur compound biosynthetic process biosynthetic process organophosphate metabolic process organophosphate biosynthetic process nucleoside phosphate biosynthetic process lipid biosynthetic process fatty-acyl-CoA biosynthetic process fatty-acyl-CoA metabolic process fatty acid derivative biosynthetic process propionyl-CoA biosynthetic process propionyl-CoA metabolic process amino acid metabolic process alpha-amino acid metabolic process branched-chain amino acid catabolic process alpha-amino acid catabolic process branched-chain amino acid metabolic process isoleucine catabolic process isoleucine metabolic process amino acid catabolic process coenzyme A metabolic process organophosphate catabolic process nucleoside phosphate catabolic process acetyl-CoA catabolic process purine-containing compound catabolic process nucleobase-containing compound catabolic process sulfur compound catabolic process response to stimulus response to chemical response to organic cyclic compound response to hormone response to endogenous stimulus response to nutrient levels response to stress response to starvation coenzyme A biosynthetic process	membrane-bounded organelle intracellular organelle cellular anatomical structure intracellular anatomical structure mitochondrion organelle cytoplasm intracellular membrane-bounded organelle extracellular exosome extracellular vesicle extracellular organelle extracellular region extracellular space vesicle membrane-bounded organelle intracellular organelle cellular anatomical structure intracellular anatomical structure mitochondrion organelle cytoplasm intracellular membrane-bounded organelle extracellular exosome extracellular vesicle extracellular organelle extracellular region extracellular space vesicle extracellular membrane-bounded organelle membrane-enclosed lumen mitochondrial matrix intracellular organelle lumen organelle lumen endoplasmic reticulum endomembrane system

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR002155	Thiolase	Family
A, B, C, D	IPR020617	Thiolase, C-terminal	Domain
A, B, C, D	IPR020613	Thiolase, conserved site	Conserved Site
A, B, C, D	IPR016039	Thiolase-like	Homologous Superfamily
A, B, C, D	IPR020616	Thiolase, N-terminal	Domain
A, B, C, D	IPR020610	Thiolase, active site	Active Site
A, B, C, D	IPR020615	Thiolase, acyl-enzyme intermediate active site	Active Site

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B, C, D	Pharos: P24752	beta-ketothiolase deficiency Liver Cirrhosis, Experimental visual epilepsy chronic kidney disease lymphoplasmacytic lymphoma pancreatic ductal adenocarcinoma pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia invasive ductal breast carcinoma malignant colon neoplasm nephrosclerosis adrenal cortex carcinoma pancreatic intraductal papillary-mucinous carcinoma breast fibroadenoma plasma cell myeloma ductal breast carcinoma in situ beta-ketothiolase deficiency Liver Cirrhosis, Experimental visual epilepsy chronic kidney disease lymphoplasmacytic lymphoma pancreatic ductal adenocarcinoma pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia invasive ductal breast carcinoma malignant colon neoplasm nephrosclerosis adrenal cortex carcinoma pancreatic intraductal papillary-mucinous carcinoma breast fibroadenoma plasma cell myeloma ductal breast carcinoma in situ gastric carcinoma lung adenocarcinoma malignant pancreatic neoplasm ovarian cancer pancreatic intraductal papillary-mucinous neoplasm ulcerative colitis intellectual disability

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
A, B, C, D	CSO	Parent Component: CYS RESID: AA0205 PSI-MOD : L-cysteine sulfenic acid MOD:00210

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.