Structure of PDB 1po8 Chain A Binding Site BS01

Receptor Information
>1po8 Chain A (length=118) Species: 132961 (Bungarus caeruleus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYQLMNMIQCANTRTWPSYTNYGCYCGKGGSGTPVDDLDRCCYTHDHCY
NDAKNIDGCNPVTKTYSYTCTEPTITCNDSKDKCARFVCDCDRTAAICFA
KAPYNTSNVMIRSTNSCQ
Ligand information
Ligand IDSHV
InChIInChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
InChIKeyMNWFXJYAOYHMED-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCC(O)=O
ACDLabs 12.01O=C(O)CCCCCC
OpenEye OEToolkits 1.7.6CCCCCCC(=O)O
FormulaC7 H14 O2
NameHEPTANOIC ACID
ChEMBLCHEMBL320358
DrugBankDB02938
ZINCZINC000001577199
PDB chain1po8 Chain A Residue 122 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1po8 Crystal structure of a complex formed between krait venom phospholipase A2 and heptanoic acid at 2.7 A resolution.
Resolution2.71 Å
Binding residue
(original residue number in PDB)		C29 G30 K31
Binding residue
(residue number reindexed from 1)		C27 G28 K29
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) Y26 G28 G30 H46 D47 Y50 Y66 D92
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: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:1po8, PDBe:1po8, PDBj:1po8
PDBsum1po8
PubMed
UniProtQ9DF52|PA2B_BUNCE Basic phospholipase A2 KPA2

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