Structure of PDB 1fw2 Chain A Binding Site BS01

Receptor Information
>1fw2 Chain A (length=257) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVRGSIIANMLQEHDNPFTLYPYDTNYLIYTQTSDLNKEAIASYDWAENA
RKDEVKFQLSLAFPLWRGILGPNSVLGASYTQKSWWQLSNSEESSPFRET
NYEPQLFLGFATDYRFAGWTLRDVEMGYNHDSNGRSDPTSRSWNRLYTRL
MAENGNWLVEVKPWYVVGNTDDNPDITKYMGYYQLKIGYHLGDAVLSAKG
QYNWNTGYGGAELGLSYPITKHVRLYTQVYSGYGESLIDYNFNQTRVGVG
VMLNDLF
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 chain1fw2 Chain A Residue 337 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1fw2 Structural investigations of calcium binding and its role in activity and activation of outer membrane phospholipase A from Escherichia coli.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D149 D184
Binding residue
(residue number reindexed from 1)		D137 D172
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.32: phospholipase A1.
3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004620 phospholipase activity
GO:0004622 lysophospholipase activity
GO:0004623 phospholipase A2 activity
GO:0005509 calcium ion binding
GO:0008970 phospholipase A1 activity
GO:0016787 hydrolase activity
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0052739 phosphatidylserine 1-acylhydrolase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0016042 lipid catabolic process
GO:0046471 phosphatidylglycerol metabolic process
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1fw2, PDBe:1fw2, PDBj:1fw2
PDBsum1fw2
PubMed11371166
UniProtP0A921|PA1_ECOLI Phospholipase A1 (Gene Name=pldA)

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