5SYN

Cocrystal structure of the human acyl protein thioesterase 2 with an isoform-selective inhibitor, ML349

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	d5syna_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	automated matches	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d5synb_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	automated matches	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
C	d5sync_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	automated matches	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
D	d5synd_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	automated matches	automated matches	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)

Domain Annotation: SCOP2 Classification SCOP2 Database Homepage

Chains	Type	Family Name	Domain Identifier	Family Identifier	Provenance Source (Version)
A	SCOP2 Family	Carboxylesterase/thioesterase 1	8067286	4000719	SCOP2 (2022-06-29)
A	SCOP2 Superfamily	alpha/beta-Hydrolases	8067287	3000102	SCOP2 (2022-06-29)
B	SCOP2B Superfamily	alpha/beta-Hydrolases	8067287	3000102	SCOP2B (2022-06-29)
C	SCOP2B Superfamily	alpha/beta-Hydrolases	8067287	3000102	SCOP2B (2022-06-29)
D	SCOP2B Superfamily	alpha/beta-Hydrolases	8067287	3000102	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	Hydrolase_4	e5synA1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: Hydrolase_4	ECOD (1.6)
B	Hydrolase_4	e5synB1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: Hydrolase_4	ECOD (1.6)
C	Hydrolase_4	e5synC1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: Hydrolase_4	ECOD (1.6)
D	Hydrolase_4	e5synD1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: Hydrolase_4	ECOD (1.6)

Domain Annotation: CATH CATH Database Homepage

Chain	Domain	Class	Architecture	Topology	Homology	Provenance Source (Version)
A	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
B	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
C	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)
D	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (4.3.0)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B, C, D	PF02230	Phospholipase/Carboxylesterase (Abhydrolase_2)	Phospholipase/Carboxylesterase	This family consists of both phospholipases [1] and carboxylesterases with broad substrate specificity, and is structurally related to alpha/beta hydrolases Pfam:PF00561 [2].	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B, C, D	Acyl-protein thioesterase 2	cell adhesion molecule binding cadherin binding protein binding binding palmitoyl-(protein) hydrolase activity palmitoyl hydrolase activity catalytic activity, acting on a protein hydrolase activity, acting on ester bonds thiolester hydrolase activity hydrolase activity catalytic activity carboxylic ester hydrolase activity lysophospholipase activity phospholipase activity cell adhesion molecule binding cadherin binding protein binding binding palmitoyl-(protein) hydrolase activity palmitoyl hydrolase activity catalytic activity, acting on a protein hydrolase activity, acting on ester bonds thiolester hydrolase activity hydrolase activity catalytic activity carboxylic ester hydrolase activity lysophospholipase activity phospholipase activity lipase activity	neutral lipid metabolic process lipid catabolic process catabolic process neutral lipid catabolic process cellular metabolic process glycerolipid catabolic process acylglycerol catabolic process primary metabolic process cellular lipid catabolic process cellular catabolic process organic substance metabolic process cellular lipid metabolic process metabolic process cellular process neutral lipid metabolic process lipid catabolic process catabolic process neutral lipid catabolic process cellular metabolic process glycerolipid catabolic process acylglycerol catabolic process primary metabolic process cellular lipid catabolic process cellular catabolic process organic substance metabolic process cellular lipid metabolic process metabolic process cellular process glycerolipid metabolic process acylglycerol metabolic process organic substance catabolic process lipid metabolic process fatty acid metabolic process oxoacid metabolic process carboxylic acid metabolic process organic acid metabolic process small molecule metabolic process monocarboxylic acid metabolic process multicellular organismal process axonogenesis cellular developmental process cell projection organization plasma membrane bounded cell projection morphogenesis cell development neuron projection development cell morphogenesis cellular component organization neurogenesis multicellular organism development cell projection morphogenesis neuron differentiation neuron projection morphogenesis cell differentiation anatomical structure development cellular component organization or biogenesis system development developmental process plasma membrane bounded cell projection organization axon guidance nervous system development axon development cell morphogenesis involved in neuron differentiation generation of neurons anatomical structure morphogenesis neuron projection guidance neuron development organonitrogen compound catabolic process organonitrogen compound metabolic process lipoprotein metabolic process macromolecule deacylation protein catabolic process macromolecule catabolic process protein deacylation macromolecule modification macromolecule depalmitoylation protein depalmitoylation macromolecule metabolic process protein metabolic process protein modification process lipoprotein catabolic process icosanoid catabolic process fatty acid derivative catabolic process fatty acid derivative metabolic process prostaglandin catabolic process prostanoid catabolic process	membrane-bounded organelle intracellular anatomical structure Golgi apparatus subcompartment Golgi apparatus organelle subcompartment cellular anatomical entity intracellular membrane-bounded organelle endomembrane system intracellular organelle organelle Golgi stack cytoplasm extracellular exosome extracellular vesicle membrane-bounded organelle intracellular anatomical structure Golgi apparatus subcompartment Golgi apparatus organelle subcompartment cellular anatomical entity intracellular membrane-bounded organelle endomembrane system intracellular organelle organelle Golgi stack cytoplasm extracellular exosome extracellular vesicle extracellular organelle extracellular region extracellular space vesicle extracellular membrane-bounded organelle cytosol nucleus membrane-enclosed lumen intracellular organelle lumen nucleoplasm organelle lumen nuclear lumen

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B, C, D	IPR003140	Phospholipase/carboxylesterase/thioesterase	Domain
A, B, C, D	IPR029058	Alpha/Beta hydrolase fold	Homologous Superfamily

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), 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 R01GM133198.