6O5S

Room temperature structure of VX-phosphonylated hAChE in complex with oxime reactivator RS-170B

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
Pharos: Disease Associations

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

Chains	Domain Info	Class	Fold	Superfamily	Family	Domain	Species	Provenance Source (Version)
A	d6o5sa_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Acetylcholinesterase	Human (Homo sapiens ) [TaxId: 9606 ],	SCOPe (2.08)
B	d6o5sb_	Alpha and beta proteins (a/b)	alpha/beta-Hydrolases	alpha/beta-Hydrolases	Acetylcholinesterase-like	Acetylcholinesterase	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	8032481	3000102	SCOP2B (2022-06-29)
B	SCOP2B Superfamily	alpha/beta-Hydrolases	8032481	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	e6o5sA1	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	e6o5sB1	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 (utative)
B	3.40.50.1820	Alpha Beta	3-Layer(aba) Sandwich	Rossmann fold	Alpha/Beta hydrolase fold, catalytic domain	CATH (utative)

Protein Family Annotation Pfam Database Homepage

Chains	Accession	Name	Description	Comments	Source
A, B	PF00135	Carboxylesterase family (COesterase)	Carboxylesterase family	-	Domain

Gene Ontology: Gene Product Annotation Gene Ontology Database Homepage

Chains	Polymer	Molecular Function	Biological Process	Cellular Component
A, B	Acetylcholinesterase	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 cation binding acetylcholine 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 cation binding acetylcholine binding ion binding small molecule binding collagen binding protein-containing complex binding extracellular matrix binding protein binding laminin binding identical protein binding protein homodimerization activity protein dimerization activity serine hydrolase activity	regulation of cellular process signaling negative regulation of signaling modulation of chemical synaptic transmission negative regulation of biological process negative regulation of synaptic transmission negative regulation of cell communication cell communication synaptic signaling negative regulation of synaptic transmission, cholinergic negative regulation of cellular process trans-synaptic signaling regulation of biological process regulation of signaling regulation of cellular process signaling negative regulation of signaling modulation of chemical synaptic transmission negative regulation of biological process negative regulation of synaptic transmission negative regulation of cell communication cell communication synaptic signaling negative regulation of synaptic transmission, cholinergic negative regulation of cellular process trans-synaptic signaling regulation of biological process regulation of signaling biological regulation cell-cell signaling chemical synaptic transmission regulation of trans-synaptic signaling anterograde trans-synaptic signaling synaptic transmission, cholinergic regulation of cell communication cellular process regulation of synaptic transmission, cholinergic localization import into cell receptor internalization transport receptor-mediated endocytosis endocytosis establishment of localization vesicle-mediated transport developmental process multicellular organismal process sensory organ development eye development animal organ development retina development in camera-type eye visual system development multicellular organism development camera-type eye development anatomical structure development sensory system development system development osteoblast development cellular developmental process ossification cell differentiation cell development osteoblast differentiation acetate ester metabolic process catabolic process acetylcholine catabolic process acetylcholine metabolic process metabolic process homeostatic process positive regulation of biological process adaptive thermogenesis positive regulation of metabolic process multicellular organismal-level homeostasis regulation of cold-induced thermogenesis cold-induced thermogenesis temperature homeostasis positive regulation of cold-induced thermogenesis positive regulation of multicellular organismal process regulation of multicellular organismal process regulation of metabolic process positive regulation of cellular process protein localization regulation of localization establishment of protein localization cellular localization nitrogen compound transport regulation of protein localization positive regulation of establishment of protein localization positive regulation of secretion by cell protein localization to extracellular region positive regulation of protein transport regulation of secretion by cell secretion by cell positive regulation of secretion cellular macromolecule localization regulation of transport secretion regulation of establishment of protein localization establishment of protein localization to extracellular region export from cell regulation of protein transport protein secretion positive regulation of protein secretion regulation of protein secretion regulation of secretion positive regulation of transport protein transport regulation of cellular localization macromolecule localization positive regulation of protein localization acetylcholine catabolic process in synaptic cleft nervous system development primary metabolic process protein metabolic process macromolecule metabolic process amyloid precursor protein metabolic process cell adhesion cellular response to nitrogen compound cellular response to stimulus cellular response to acetylcholine response to stimulus response to oxygen-containing compound response to nitrogen compound acetylcholine receptor signaling pathway postsynaptic signal transduction cellular response to oxygen-containing compound cellular response to chemical stimulus response to chemical response to acetylcholine signal transduction cellular component organization cellular component biogenesis cell junction organization cellular component assembly cell junction assembly synapse organization cellular component organization or biogenesis synapse assembly regulation of receptor recycling regulation of macromolecule metabolic process receptor recycling receptor metabolic process	cellular anatomical structure membrane basement membrane cell periphery extracellular matrix external encapsulating structure collagen-containing extracellular matrix cell surface plasma membrane synaptic cleft extracellular region neuromuscular junction synapse cell junction cellular anatomical structure membrane basement membrane cell periphery extracellular matrix external encapsulating structure collagen-containing extracellular matrix cell surface plasma membrane synaptic cleft extracellular region neuromuscular junction synapse cell junction side of membrane membrane-bounded organelle intracellular organelle intracellular anatomical structure Golgi apparatus organelle cytoplasm intracellular membrane-bounded organelle endomembrane system perinuclear region of cytoplasm extracellular space nucleus

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: P22303	Alzheimer disease muscular dystrophy renal cell carcinoma Organophosphate Poisoning amyloidosis visual epilepsy chromophobe renal cell carcinoma collecting duct carcinoma prostate cancer breast carcinoma obesity disorder papillary renal cell carcinoma poisoning amphetamine abuse nervous system disorder Alzheimer disease muscular dystrophy renal cell carcinoma Organophosphate Poisoning amyloidosis visual epilepsy chromophobe renal cell carcinoma collecting duct carcinoma prostate cancer breast carcinoma obesity disorder papillary renal cell carcinoma poisoning amphetamine abuse nervous system disorder sarcomatoid renal cell carcinoma toxic encephalopathy acute cystitis pilocytic astrocytoma dermatomyositis renal carcinoma breast cancer glaucoma hypertensive disorder open-angle glaucoma learning disability osteosarcoma Crohn disease dementia medulloblastoma pituitary cancer urinary bladder cancer schizophrenia clear cell renal carcinoma inflammatory bowel disease malignant ependymoma movement disorder esotropia myasthenia gravis atypical teratoid rhabdoid tumor genetic endocrine growth disease

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.