Structure of PDB 2wg9 Chain B Binding Site BS02

Receptor Information
>2wg9 Chain B (length=114) Species: 4530 (Oryza sativa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKDQGCSRTCESQFCTIAPLLRYGKYCGILYSGCPGERPCDALDACCMVH
DHCVDTHNDDYLNTMCNENLLSCIDRVSGATFPGNKCNVGQTASVIRGVI
ETAVFAGKILHKRD
Ligand information
Ligand IDOCA
InChIInChI=1S/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
InChIKeyWWZKQHOCKIZLMA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCC(=O)O
CACTVS 3.341CCCCCCCC(O)=O
FormulaC8 H16 O2
NameOCTANOIC ACID (CAPRYLIC ACID)
ChEMBLCHEMBL324846
DrugBankDB04519
ZINCZINC000001530416
PDB chain2wg9 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wg9 Crystal Structure of a Class Xib Phospholipase A2 (Pla2): Rice (Oryza Sativa) Isoform-2 Pla2 and an Octanoate Complex.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		A29 G39 C58 H61 D62
Binding residue
(residue number reindexed from 1)		A18 G28 C47 H50 D51
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004623 phospholipase A2 activity
GO:0005509 calcium ion binding
Biological Process
GO:0006644 phospholipid metabolic process
GO:0016042 lipid catabolic process
GO:0050482 arachidonate secretion

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Molecular Function
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Biological Process
External links
PDB RCSB:2wg9, PDBe:2wg9, PDBj:2wg9
PDBsum2wg9
PubMed19457861
UniProtQ9XG81|PLA22_ORYSJ Probable phospholipase A2 homolog 2 (Gene Name=PLA2-II)

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