Structure of PDB 4hg9 Chain D Binding Site BS01

Receptor Information

>4hg9 Chain D (length=122) Species: 8714 (Gloydius halys)

HLLQFRKMIKKMTGKEPVVSYAFYGCYCGSGGRGKPKDATDRCCFVHDCC
YEKVTGCDPKWDDYTYSWKDGDIVCGGDDPCKKEVCECDKAAAICFRDNL
KTYKKRYMAYPDILCSSKSEKC

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: 4hg9 Chain D Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hg9 Crystal structure of AhV_bPA, a basic PLA2 from Agkistrodon halys pallas venom
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): Y28 G30 G32 D49
• Binding residue (residue number reindexed from 1): Y27 G29 G31 D48
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y28 G30 G32 H48 D49 Y52 Y73 D99
• Catalytic site (residue number reindexed from 1): Y27 G29 G31 H47 D48 Y51 Y64 D89
• 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

External links

• PDB: RCSB:4hg9, PDBe:4hg9, PDBj:4hg9
• PDBsum: 4hg9
• UniProt: O42187|PA2BB_GLOHA Basic phospholipase A2 B