Structure of PDB 2es4 Chain B Binding Site BS01

Receptor Information
>2es4 Chain B (length=314) Species: 337 (Burkholderia glumae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTYAATRYPVILVHGLAGTDKFANVVDYWYGIQSDLQSHGAKVYVANLS
GFQSDDGPNGRGEQLLAYVKQVLAATGATKVNLIGHSQGGLTSRYVAAVA
PQLVASVTTIGTPHRGSEFADFVQDVLKTDPTGLSSTVIAAFVNVFGTLV
SSSHNTDQDALAALRTLTTAQTATYNRNFPSAGLGAPGSCQTGAATETVG
GSQHLLYSWGGTAIQPTSTGATDTSTGTLDVANVTDPSTLALLATGAVMI
NRASGQNDGLVSRCSSLFGQVISTSYHWNHLDEINQLLGVRGANAEDPVA
VIRTHVNRLKLQGV
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2es4 Chain B Residue 998 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2es4 Structure of a membrane-based steric chaperone in complex with its lipase substrate.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		D241 D287 Q291 V295
Binding residue
(residue number reindexed from 1)		D236 D282 Q286 V290
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S87 Q88 D241 D263 H285 D287 Q291 V295
Catalytic site (residue number reindexed from 1) S87 Q88 D236 D258 H280 D282 Q286 V290
Enzyme Commision number 3.1.1.3: triacylglycerol lipase.
Gene Ontology
Molecular Function
GO:0004806 triacylglycerol lipase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
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:2es4, PDBe:2es4, PDBj:2es4
PDBsum2es4
PubMed16518399
UniProtP0DUB8|LIP_BURPL Triacylglycerol lipase (Gene Name=lip)

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