Structure of PDB 5cur Chain A Binding Site BS05

Receptor Information
>5cur Chain A (length=179) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HNPVVMVHGIGGASFNFAGIKSYLVSQGWSRDKLYAVDFWDETGTNENNG
PVLSEFVQKVLDETGAKKVDIVAHSMGGANTLYYIKNLDGGNKVANVVTL
GGANRLTTGKALPGTDPNQKILYTSIYSSADMIVMNYLSRLDGARNVQIH
GVGHIELLYSSQVNSLIKEGLNGGGQNTN
Ligand information
Ligand IDCL
InChIInChI=1S/ClH/h1H/p-1
InChIKeyVEXZGXHMUGYJMC-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cl-]
FormulaCl
NameCHLORIDE ION
ChEMBL
DrugBankDB14547
ZINC
PDB chain5cur Chain A Residue 206 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cur Crystallographic Investigation of Imidazolium Ionic Liquid Effects on Enzyme Structure.
Resolution1.302 Å
Binding residue
(original residue number in PDB)		M134 H156
Binding residue
(residue number reindexed from 1)		M132 H154
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) I12 S77 M78 D133 H156
Catalytic site (residue number reindexed from 1) I10 S75 M76 D131 H154
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Molecular Function
GO:0004806 triacylglycerol lipase activity
GO:0016298 lipase activity
GO:0016787 hydrolase activity
Biological Process
GO:0016042 lipid catabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5cur, PDBe:5cur, PDBj:5cur
PDBsum5cur
PubMed26388426
UniProtP37957|ESTA_BACSU Lipase EstA (Gene Name=estA)

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