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BioLiP

Structure of PDB 3hi4 Chain A Binding Site BS01

Receptor Information
>3hi4 Chain A (length=271) Species: 294 (Pseudomonas fluorescens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STFVAKDGTQIYFKDWGSGKPVLFSHGWPLDADMWEYQMEYLSSRGYRTI
AFDRRGFGRSDQPWTGNDYDTFADDIAQLIEHLDLKEVTLVGFSMGGGDV
ARYIARHGSARVAGLVLLGAVTPLFGQKPDYPQGVPLDVFARFKTELLKD
RAQFISDFNAPFYGINKGQVVSQGVQTQTLQIALLASLKATVDCVTAFAE
TDFRPDMAKIDVPTLVIHGDGDQIVPFETTGKVAAELIKGAELKVYKDAP
HGFAVTHAQQLNEDLLAFLKR
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 chain3hi4 Chain A Residue 272 [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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PDB3hi4 Switching catalysis from hydrolysis to perhydrolysis in Pseudomonas fluorescens esterase.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		W28 S94 M95 F198
Binding residue
(residue number reindexed from 1)		W28 S94 M95 F198
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) W28 S94 M95 G119 D222 H251
Catalytic site (residue number reindexed from 1) W28 S94 M95 G119 D222 H251
Enzyme Commision number 1.-.-.-
3.1.1.2: arylesterase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004064 arylesterase activity
GO:0004601 peroxidase activity
GO:0016787 hydrolase activity
Biological Process
GO:0098869 cellular oxidant detoxification

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Molecular Function
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Biological Process
External links
PDB RCSB:3hi4, PDBe:3hi4, PDBj:3hi4
PDBsum3hi4
PubMed20112920
UniProtP22862|ESTE_PSEFL Arylesterase (Gene Name=estF)

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