Structure of PDB 3nju Chain A Binding Site BS01

Receptor Information
>3nju Chain A (length=119) Species: 195058 (Naja sagittifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYQFKNMIQCTVPSRSWADFADYGCYCGKGGSGTPVDDLDRCCQTHDNC
YNEAENISGCRPYFKTYSYECTQGTLTCKGDNNACAASVCDCDRLAAICF
AGAPYNDANYNIDLKARCN
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 chain3nju Chain A Residue 121 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3nju Crystal structure of the complex of group I phospholipase A2 with 4-Methoxy-benzoicacid at 1.4A resolution
Resolution1.4 Å
Binding residue
(original residue number in PDB)		F5 W19 G30
Binding residue
(residue number reindexed from 1)		F5 W18 G29
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y28 G30 G32 H48 D49 Y52 Y68 D94
Catalytic site (residue number reindexed from 1) Y27 G29 G31 H47 D48 Y51 Y67 D93
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
Biological Process
GO:0006644 phospholipid metabolic process
GO:0016042 lipid catabolic process
GO:0050482 arachidonate secretion
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:3nju, PDBe:3nju, PDBj:3nju
PDBsum3nju
PubMed
UniProtP60045|PA2A3_NAJSG Acidic phospholipase A2 3 (Fragment)

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