Structure of PDB 5ei5 Chain A Binding Site BS01

Receptor Information
>5ei5 Chain A (length=534) Species: 7787 (Tetronarce californica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DHSELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPK
KPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWV
PSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVG
AFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESA
GGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRN
LNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFF
PTSLESMLNSGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISRED
FMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVI
CPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLP
LVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQK
FIDLNTEPMKVHQRLRVQMCVFWNQFLPKLLNAT
Ligand information
Ligand ID03S
InChIInChI=1S/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
InChIKeyAFVFQIVMOAPDHO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=S(=O)(O)C
OpenEye OEToolkits 1.7.2CS(=O)(=O)O
CACTVS 3.370C[S](O)(=O)=O
FormulaC H4 O3 S
Namemethanesulfonic acid
ChEMBLCHEMBL3039600
DrugBank
ZINC
PDB chain5ei5 Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ei5 MSF-AGED TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH BISTACRINE
Resolution2.1 Å
Binding residue
(original residue number in PDB)		G118 G119 S200 A201 W233 F290 H440
Binding residue
(residue number reindexed from 1)		G117 G118 S199 A200 W232 F289 H439
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G118 G119 G151 S200 A201 A239 F290 F292 E327 H440
Catalytic site (residue number reindexed from 1) G117 G118 G150 S199 A200 A238 F289 F291 E326 H439
Enzyme Commision number 3.1.1.7: acetylcholinesterase.
Gene Ontology
Molecular Function
GO:0003990 acetylcholinesterase activity
GO:0004104 cholinesterase activity
GO:0052689 carboxylic ester hydrolase activity
Biological Process
GO:0001507 acetylcholine catabolic process in synaptic cleft
GO:0006581 acetylcholine catabolic process
GO:0019695 choline metabolic process
Cellular Component
GO:0005615 extracellular space
GO:0005886 plasma membrane
GO:0043083 synaptic cleft
GO:0045202 synapse
GO:0098552 side of membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5ei5, PDBe:5ei5, PDBj:5ei5
PDBsum5ei5
PubMed38591646
UniProtP04058|ACES_TETCF Acetylcholinesterase (Gene Name=ache)

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