Structure of PDB 5ydj Chain B Binding Site BS01

Receptor Information
>5ydj Chain B (length=538) Species: 7165 (Anopheles gambiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNDPLVVNTDKGRIRGITVDAPSGKKVDVWLGIPYAQPPVGPLRFRHPRP
AEKWTGVLNTTTPPNSCVQIVDTVFGDFPGATMWNPNTPLSEDCLYINVV
APRPRPKNAAVMLWIFGGGFYSGTATLDVYDHRALASEENVIVVSLQYRV
ASLGFLFLGTPEAPGNAGLFDQNLALRWVRDNIHRFGGDPSRVTLFGESA
GAVSVSLHLLSALSRDLFQRAILQSGSPTAPWALVSREEATLRALRLAEA
VGCPHEPSKLSDAVECLRGKDPHVLVNNEWGTLGICEFPFVPVVDGAFLD
ETPQRSLASGRFKKTEILTGSNTEEGYYFIIYYLTELLRKEEGVTVTREE
FLQAVRELNPYVNGAARQAIVFEYTDWTEPDNPNSNRDALDKMVGDYHFT
CNVNEFAQRYAEEGNNVYMYLYTHRSKGNPWPRWTGVMHGDEINYVFGEP
LNPTLGYTEDEKDFSRKIMRYWSNFAKTGNPNPNTASSEFPEWPKHTAHG
RHYLELGLNTSFVGRGPRLRQCAFWKKYLPQLVAATSN
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain5ydj Chain B Residue 818 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5ydj Crystal structures of acetylcholinesterase of the malaria vector Anopheles gambiae reveal a polymerization interface, ligand binding residues and post translational modifications
Resolution3.04 Å
Binding residue
(original residue number in PDB)		E410 H416
Binding residue
(residue number reindexed from 1)		E249 H255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G279 G280 S360 A361 E486 H600
Catalytic site (residue number reindexed from 1) G118 G119 S199 A200 E325 H439
Enzyme Commision number 3.1.1.7: acetylcholinesterase.
Gene Ontology
Molecular Function
GO:0004104 cholinesterase activity

View graph for
Molecular Function
External links
PDB RCSB:5ydj, PDBe:5ydj, PDBj:5ydj
PDBsum5ydj
PubMed
UniProtQ869C3|ACES_ANOGA Acetylcholinesterase (Gene Name=Ace)

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