Structure of PDB 6uqz Chain B Binding Site BS01

Receptor Information
>6uqz Chain B (length=287) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HTSPLLAPVRQIHAFGDSYSDNGESQRLTREMLAKGIAGAQALPGEVYWQ
GRWSNGPTAVEVLARQLGAQLADHAVGGAKSGADNYYGWMSAYRHTGLAG
QVDAYLATLDGKPVDGQALHFIFVSANDFFEHEDFAGEQPLEQLAGSSVA
NIRAAVQRLGEAGARRFLVVSSTDLSVVPAVVAGNRVERAQRYLQAVNAS
LPIQLAALRKTRGLELSWFDHLTFSRHLRRNPARYGLVELDAPCQPTQPS
VRPACANPDQYYFWNEWHPTRRVHQLAGEAMAARYAR
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain6uqz Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6uqz Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
Resolution1.43 Å
Binding residue
(original residue number in PDB)		D37 S38 G98 N147 H288
Binding residue
(residue number reindexed from 1)		D17 S18 G78 N127 H268
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0004104 cholinesterase activity
GO:0016788 hydrolase activity, acting on ester bonds
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:6uqz, PDBe:6uqz, PDBj:6uqz
PDBsum6uqz
PubMed32371400
UniProtQ9HUP2

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