Structure of PDB 1psh Chain B Binding Site BS01

Receptor Information

>1psh Chain B (length=119) Species: 35670 (Naja naja)

NLYQFKNMIKCTVPSRSWWDFADYGCYCGRGGSGTPVDDLDRCCQVHDNC
YNEAEKISGCWPYFKTYSYECSQGTLTCKGDNNACAASVCDCDRLAAICF
AGAPYNDNNYNIDLKARCQ

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: 1psh Chain B Residue 120

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1psh Crystal structure of phospholipase A2 from Indian cobra reveals a trimeric association.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): Y27 C28 G29 G31 D48
• Binding residue (residue number reindexed from 1): Y27 C28 G29 G31 D48
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y27 G29 G31 H47 D48 Y51 Y67 D93
• 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

External links

• PDB: RCSB:1psh, PDBe:1psh, PDBj:1psh
• PDBsum: 1psh
• PubMed: 8419939
• UniProt: P15445|PA2A2_NAJNA Acidic phospholipase A2 2