Structure of PDB 3v9m Chain B Binding Site BS01

Receptor Information

>3v9m Chain B (length=118) Species: 8670 (Pseudechis australis)

NLIQFGNMIQCANKGSRPSLDYADYGCYCGWGGSGTPVDELDRCCQVHDN
CYEQAGKKGCFPKLTLYSWKCTGNVPTCNSKPGCKSFVCACDAAAAKCFA
KAPYKKENYNIDTKKRCK

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3v9m Chain B Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3v9m Mechanistic studies on the anticoagulant activity of a phospholipase A2 from the venom of the Australian King Brown Snake (Pseudechis australis)
• Resolution: 1.563 Å
• Binding residue (original residue number in PDB): Y28 G30 G32 D49
• Binding residue (residue number reindexed from 1): Y28 G30 G32 D49
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y28 G30 G32 H48 D49 Y52 Y67 D92
• Catalytic site (residue number reindexed from 1): Y28 G30 G32 H48 D49 Y52 Y67 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

Biological Process

• GO:0006644 phospholipid metabolic process
• GO:0016042 lipid catabolic process
• GO:0050482 arachidonate secretion

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:3v9m, PDBe:3v9m, PDBj:3v9m
• PDBsum: 3v9m
• UniProt: P04056|PA2BB_PSEAU Basic phospholipase A2 PA-11