5DYY

Crystal structure of human butyrylcholinesterase in complex with N-((1-benzylpiperidin-3-yl)methyl)naphthalene-2-sulfonamide

External Resource: Annotation

Domain Annotation: SCOP/SCOPe Classification
Domain Annotation: SCOP2 Classification
Domain Annotation: ECOD Classification
Domain Annotation: CATH
Gene Ontology: Gene Product Annotation
InterPro: Protein Family Classification
Pharos: Disease Associations
Membrane Protein Annotation: OPM
Protein Modification Annotation

Domain Annotation: SCOP/SCOPe Classification SCOP-e Database Homepage

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d5dyya_	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	d5dyyb_	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	SCOP2B Superfamily	alpha/beta-Hydrolases	8033793	3000102	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	alpha/beta-Hydrolases	8033793	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	COesterase	e5dyyA1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	ECOD (1.6)
B	COesterase	e5dyyB1	A: a/b three-layered sandwiches	X: alpha/beta-Hydrolases (From Topology)	H: alpha/beta-Hydrolases (From Topology)	T: alpha/beta-Hydrolases	F: COesterase	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)

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	Cholinesterase	acetylcholinesterase activity hydrolase activity, acting on ester bonds cholinesterase activity carboxylic ester hydrolase activity hydrolase activity catalytic activity amide binding amyloid-beta binding binding peptide binding choline binding cation binding ion binding small molecule binding acetylcholinesterase activity hydrolase activity, acting on ester bonds cholinesterase activity carboxylic ester hydrolase activity hydrolase activity catalytic activity amide binding amyloid-beta binding binding peptide binding choline binding cation binding ion binding small molecule binding protein binding enzyme binding identical protein binding	behavior multicellular organismal process system process learning learning or memory nervous system process cognition cocaine metabolic process alkaloid metabolic process metabolic process cellular process tropane alkaloid metabolic process peptide hormone processing regulation of hormone levels behavior multicellular organismal process system process learning learning or memory nervous system process cognition cocaine metabolic process alkaloid metabolic process metabolic process cellular process tropane alkaloid metabolic process peptide hormone processing regulation of hormone levels biological regulation signaling receptor ligand precursor processing primary metabolic process gene expression macromolecule biosynthetic process hormone metabolic process protein maturation biosynthetic process proteolysis protein processing amide metabolic process protein metabolic process macromolecule metabolic process regulation of biological quality response to corticosteroid response to lipid response to stimulus response to hormone response to steroid hormone response to chemical response to endogenous stimulus response to glucocorticoid response to organic cyclic compound acetate ester metabolic process catabolic process acetylcholine catabolic process acetylcholine metabolic process cellular response to stimulus cellular response to chemical stimulus cellular response to xenobiotic stimulus xenobiotic metabolic process response to xenobiotic stimulus negative regulation of cell population proliferation regulation of biological process cell population proliferation regulation of cellular process regulation of cell population proliferation negative regulation of cellular process negative regulation of biological process developmental process cellular developmental process neuroblast differentiation nervous system development generation of neurons neurogenesis multicellular organism development cell differentiation anatomical structure development system development trans-synaptic signaling regulation of signaling negative regulation of signaling signaling modulation of chemical synaptic transmission cell-cell signaling negative regulation of synaptic transmission negative regulation of cell communication cell communication chemical synaptic transmission synaptic signaling regulation of trans-synaptic signaling anterograde trans-synaptic signaling regulation of cell communication ammonium ion metabolic process choline metabolic process response to nitrogen compound response to alkaloid response to nutrient levels response to folic acid response to nutrient response to oxygen-containing compound response to vitamin	cell periphery cellular anatomical structure plasma membrane membrane extracellular region extracellular space blood microparticle membrane-bounded organelle intracellular anatomical structure nucleus membrane-enclosed lumen intracellular membrane-bounded organelle endomembrane system intracellular organelle lumen cell periphery cellular anatomical structure plasma membrane membrane extracellular region extracellular space blood microparticle membrane-bounded organelle intracellular anatomical structure nucleus membrane-enclosed lumen intracellular membrane-bounded organelle endomembrane system intracellular organelle lumen organelle envelope lumen intracellular organelle organelle envelope organelle lumen organelle nuclear envelope lumen nuclear envelope endoplasmic reticulum lumen endoplasmic reticulum cytoplasm

InterPro: Protein Family Classification InterPro Database Homepage

Chains	Accession	Name	Type
A, B	IPR050654	Acetylcholinesterase-related enzymes	Family
A, B	IPR000997	Cholinesterase	Family
A, B	IPR002018	Carboxylesterase, type B	Domain
A, B	IPR019819	Carboxylesterase type B, conserved site	Conserved Site
A, B	IPR019826	Carboxylesterase type B, active site	Active Site
A, B	IPR029058	Alpha/Beta hydrolase fold	Homologous Superfamily
A, B	IPR014788	Acetylcholinesterase, tetramerisation domain	Domain

Pharos: Disease Associations Pharos Homepage Annotation

Chains	Drug Target	Associated Disease
A, B	Pharos: P06276	Alzheimer disease glioblastoma muscular dystrophy renal cell carcinoma neuroblastoma breast carcinoma epilepsy with generalized tonic-clonic seizures butyrylcholinesterase deficiency chromophobe renal cell carcinoma cocaine dependence collecting duct carcinoma sleep apnea syndrome Apnea multiple sclerosis giant cell glioblastoma Alzheimer disease glioblastoma muscular dystrophy renal cell carcinoma neuroblastoma breast carcinoma epilepsy with generalized tonic-clonic seizures butyrylcholinesterase deficiency chromophobe renal cell carcinoma cocaine dependence collecting duct carcinoma sleep apnea syndrome Apnea multiple sclerosis giant cell glioblastoma sarcomatoid renal cell carcinoma hypertriglyceridemia poisoning Bamforth-Lazarus syndrome cocaine abuse obesity disorder papillary renal cell carcinoma visual epilepsy non-small cell lung carcinoma ovarian cancer lung carcinoma pancreatic intraductal papillary-mucinous neoplasm malignant glioma astrocytic tumor pilocytic astrocytoma medulloblastoma clear cell renal carcinoma psoriasis oligodendroglioma cutaneous lupus erythematosus interstitial cystitis dementia large cell medulloblastoma lung adenocarcinoma bipolar disorder palsy malignant colon neoplasm breast fibroadenoma pancreatic intraductal papillary-mucinous neoplasm with low grade dysplasia toxic encephalopathy malignant mesothelioma progressive supranuclear palsy renal carcinoma hydrolethalus syndrome complex sleep apnea cystic fibrosis invasive ductal breast carcinoma lung cancer breast cancer pancreatic intraductal papillary-mucinous carcinoma malignant ependymoma Pick disease atopic eczema

Membrane Protein Annotation: OPM OPM Database Homepage

Chains	External Link	Type	Class	Superfamily	Family
A, B	OPM	Monotopic/peripheral	Alpha/Beta monotopic/peripheral	Alpha/beta-hydrolases	Acetylcholinesterase-like

Protein Modification Annotation

Modified Residue(s)
Chain	Residue(s)	Description
A, B	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.