Structure of PDB 2b96 Chain A Binding Site BS03

Receptor Information
>2b96 Chain A (length=123) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALWQFNGMIKCKIPSSEPLLDFNNYGCYCGLGGSGTPVDDLDRCCQTHDN
CYMQAMKLDSCKVLVDNPYTNNYSYSCSNNEITCSSENNACEAFICNCDR
NAAICFSKVPYNKEHKNLDKMNC
Ligand information
Ligand IDANN
InChIInChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKeyZEYHEAKUIGZSGI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341COc1ccc(cc1)C(O)=O
OpenEye OEToolkits 1.5.0COc1ccc(cc1)C(=O)O
ACDLabs 10.04O=C(O)c1ccc(OC)cc1
FormulaC8 H8 O3
Name4-METHOXYBENZOIC ACID;
P-ANISIC ACID
ChEMBLCHEMBL21932
DrugBankDB02795
ZINCZINC000000332748
PDB chain2b96 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2b96 Third Calcium ion found in an inhibitor bound phospholipase A2
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F5 G30 Y69
Binding residue
(residue number reindexed from 1)		F5 G30 Y69
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y28 G30 G32 H48 D49 Y52 Y73 D99
Catalytic site (residue number reindexed from 1) Y28 G30 G32 H48 D49 Y52 Y73 D99
Enzyme Commision number 3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004623 phospholipase A2 activity
GO:0005102 signaling receptor binding
GO:0005509 calcium ion binding
GO:0005543 phospholipid binding
GO:0016787 hydrolase activity
GO:0032052 bile acid binding
GO:0046872 metal ion binding
GO:0047498 calcium-dependent phospholipase A2 activity
Biological Process
GO:0002227 innate immune response in mucosa
GO:0006629 lipid metabolic process
GO:0006633 fatty acid biosynthetic process
GO:0006644 phospholipid metabolic process
GO:0008284 positive regulation of cell population proliferation
GO:0016042 lipid catabolic process
GO:0019731 antibacterial humoral response
GO:0046470 phosphatidylcholine metabolic process
GO:0046471 phosphatidylglycerol metabolic process
GO:0048146 positive regulation of fibroblast proliferation
GO:0050482 arachidonate secretion
GO:0050830 defense response to Gram-positive bacterium
GO:0061844 antimicrobial humoral immune response mediated by antimicrobial peptide
GO:1904635 positive regulation of podocyte apoptotic process
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0009986 cell surface

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2b96, PDBe:2b96, PDBj:2b96
PDBsum2b96
PubMed16552140
UniProtP00593|PA21B_BOVIN Phospholipase A2 (Gene Name=PLA2G1B)

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