Structure of PDB 4hg9 Chain C Binding Site BS02

Receptor Information

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

HLLQFRKMIKKMTGKEPVVSYAFYGCYCGSGGRGKPKDATDRCCFVHDCC
YEKVTGCDPKWDDYTYSWKDGDIVCGGDDPCKKEVCECDKAAAICFRDNL
KTYKKRYMAYPDILCSSKSEKC

Ligand information

• Ligand ID: G3P
• InChI: InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
• InChIKey: AWUCVROLDVIAJX-GSVOUGTGSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C(COP(=O)(O)O)O)O
  CACTVS 3.385: OC[C@@H](O)CO[P](O)(O)=O
  ACDLabs 12.01: O=P(OCC(O)CO)(O)O
  OpenEye OEToolkits 1.7.6: C([C@H](COP(=O)(O)O)O)O
  CACTVS 3.385: OC[CH](O)CO[P](O)(O)=O
• Formula: C3 H9 O6 P
• Name: SN-GLYCEROL-3-PHOSPHATE
• ChEMBL: CHEMBL1232920
• DrugBank: DB02515
• ZINC: ZINC000003830896
• PDB chain: 4hg9 Chain C Residue 202

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): F5 G30
• Binding residue (residue number reindexed from 1): F5 G29
• 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