Structure of PDB 1rgb Chain K Binding Site BS01

Receptor Information
>1rgb Chain K (length=122) Species: 73841 (Vipera ammodytes meridionalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLFQFAKMINGKLGAFSVWNYISYGCYCGWGGQGTPKDATDRCCFVHDCC
YGRVRGCNPKLAIYSYSFKKGNIVCGKNNGCLRDICECDRVAANCFHQNK
NTYNKNYKFLSSSRCRQTSEQC
Ligand information
Ligand IDELD
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H2,19,20)
InChIKeyFATBGEAMYMYZAF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCC(=O)N
CACTVS 3.341CCCCCCCC\C=C/CCCCCCCC(N)=O
CACTVS 3.341CCCCCCCCC=CCCCCCCCC(N)=O
ACDLabs 10.04O=C(N)CCCCCCC\C=C/CCCCCCCC
FormulaC18 H35 N O
Name(9E)-OCTADEC-9-ENAMIDE;
ELAIDOYLAMIDE
ChEMBL
DrugBank
ZINC
PDB chain1rgb Chain L Residue 134 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rgb Asp49 phospholipase A(2)-elaidoylamide complex: a new mode of inhibition.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		L2 C29 G30 W31 C45
Binding residue
(residue number reindexed from 1)		L2 C28 G29 W30 C44
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
GO:0005543 phospholipid binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047498 calcium-dependent phospholipase A2 activity
GO:0090729 toxin activity
Biological Process
GO:0006644 phospholipid metabolic process
GO:0016042 lipid catabolic process
GO:0031640 killing of cells of another organism
GO:0035821 modulation of process of another organism
GO:0050482 arachidonate secretion
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:1rgb, PDBe:1rgb, PDBj:1rgb
PDBsum1rgb
PubMed15194511
UniProtP14420|PA2B_VIPAE Basic phospholipase A2 vipoxin B chain

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