Structure of PDB 1m8s Chain A Binding Site BS01

Receptor Information

>1m8s Chain A (length=124) Species: 8714 (Gloydius halys)

SLVQFETLIMKVAKKSGMQWYSNYGCYCGWGGQGRPQDATDRCCFVHDCC
YGKVTGCDPKMDVYSFSEENGDIVCGGDDPCKKEICECDRAAAICFRDNL
NTYNDKKYWAFGAKNCPQEESEPC

Ligand information

• Ligand ID: CD
• InChI: InChI=1S/Cd/q+2
• InChIKey: WLZRMCYVCSSEQC-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Cd++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Cd+2]
• Formula: Cd
• Name: CADMIUM ION
• PDB chain: 1m8s Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1m8s Structures of cadmium-binding acidic phospholipase A(2) from the venom of Agkistrodon halys Pallas at 1.9A resolutio
• Resolution: 1.9 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

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:1m8s, PDBe:1m8s, PDBj:1m8s
• PDBsum: 1m8s
• PubMed: 12504079
• UniProt: O42191|PA2A7_GLOHA Acidic phospholipase A2 A