Structure of PDB 1ppa Chain A Binding Site BS01

Receptor Information

>1ppa Chain A (length=121) Species: 8716 (Agkistrodon piscivorus piscivorus)

SVLELGKMILQETGKNAITSYGSYGCNCGWGHRGQPKDATDRCCFVHKCC
YKKLTDCNHKTDRYSYSWKNKAIICEEKNPCLKEMCECDKAVAICLRENL
DTYNKKYKAYFKLKCKKPDTC

Ligand information

• Ligand ID: ANL
• InChI: InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
• InChIKey: PAYRUJLWNCNPSJ-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1ccc(cc1)N
  ACDLabs 10.04
  CACTVS 3.341: Nc1ccccc1
• Formula: C6 H7 N
• Name: ANILINE
• ChEMBL: CHEMBL538
• DrugBank: DB06728
• ZINC: ZINC000017886255
• PDB chain: 1ppa Chain A Residue 134

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ppa The crystal structure of a lysine 49 phospholipase A2 from the venom of the cottonmouth snake at 2.0-A resolution.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): C29 H48
• Binding residue (residue number reindexed from 1): C28 H47
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N28 G30 G32 H48 K49 Y52 Y73 D99
• Catalytic site (residue number reindexed from 1): N27 G29 G31 H47 K48 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: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:0042130 negative regulation of T cell proliferation
• GO:0050482 arachidonate secretion

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1ppa, PDBe:1ppa, PDBj:1ppa
• PDBsum: 1ppa
• PubMed: 2120215
• UniProt: P04361|PA2HB_AGKPI Basic phospholipase A2 homolog AppP2