Structure of PDB 3jq5 Chain A Binding Site BS02

Receptor Information

>3jq5 Chain A (length=119) Species: 195058 (Naja sagittifera)

NLYQFKNMIQCTVPSRSWADFADYGCYCGKGGSGTPVDDLDRCCQTHDNC
YNEAENISGCRPYFKTYSYECTQGTLTCKGDNNACAASVCDCDRLAAICF
AGAPYNDANYNIDLKARCN

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: 3jq5 Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3jq5 Phospholipase A2 Prevents the Aggregation of Amyloid Beta Peptides: Crystal Structure of the Complex of Phospholipase A2 with Octapeptide Fragment of Amyloid Beta Peptide, Asp-Ala-Glu-Phe-Arg-His-Asp-Ser at 2 A Resolution
• Resolution: 2.03 Å
• Binding residue (original residue number in PDB): Y28 G30 K31 G32 D49
• Binding residue (residue number reindexed from 1): Y27 G29 K30 G31 D48
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y28 G30 G32 H48 D49 Y52 Y68 D94
• 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:3jq5, PDBe:3jq5, PDBj:3jq5
• PDBsum: 3jq5
• UniProt: P60045|PA2A3_NAJSG Acidic phospholipase A2 3 (Fragment)