Structure of PDB 6uqw Chain B Binding Site BS01

Receptor Information
>6uqw Chain B (length=286) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSPLLAPVRQIHAFGDSYSDNGESQRLTREMLAKGIAGAQALPGEVYWQG
RWSNGPTAVEVLARQLGAQLADHAVGGAKSGADNYYGWMSAYRHTGLAGQ
VDAYLATLDGKPVDGQALHFIFVSANDFFEHEDFAGEQPLEQLAGSSVAN
IRAAVQRLGEAGARRFLVVSSTDLSVVPAVVAGNRVERAQRYLQAVNASL
PIQLAALRKTRGLELSWFDHLTFSRHLRRNPARYGLVELDAPCQPTQPSV
RPACANPDQYYFWDEWHPTRRVHQLAGEAMAARYAR
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 chain6uqw 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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PDB6uqw Structural insights into the putative bacterial acetylcholinesterase ChoE and its substrate inhibition mechanism.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		S38 G98 N147 H288
Binding residue
(residue number reindexed from 1)		S17 G77 N126 H267
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:6uqw, PDBe:6uqw, PDBj:6uqw
PDBsum6uqw
PubMed32371400
UniProtQ9HUP2

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