Structure of PDB 2bax Chain A Binding Site BS02

Receptor Information
>2bax 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
NAAICFSKVPYNKEHKNLDKKNC
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 chain2bax Chain A Residue 125 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bax Atomic resolution (0.97 A) structure of the triple mutant (K53,56,121M) of bovine pancreatic phospholipase A2.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		K12 E81 I104
Binding residue
(residue number reindexed from 1)		K12 E81 I104
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:2bax, PDBe:2bax, PDBj:2bax
PDBsum2bax
PubMed16508077
UniProtP00593|PA21B_BOVIN Phospholipase A2 (Gene Name=PLA2G1B)

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