Structure of PDB 1oyf Chain A Binding Site BS01

Receptor Information

>1oyf Chain A (length=121) Species: 97228 (Daboia russelii pulchella)

SLLEFGRMILEETGKLAIPSYSSYGCYCGWGGKGTPKDATDRCCFVHDCC
YGNLPDCNPQSDRYKYKRVNGAIVCEKGTSCENRICECDKAAAICFRQNL
NTYSKKYMLYPDFLCKGELKC

Ligand information

• Ligand ID: MHN
• InChI: InChI=1S/C8H18O/c1-8(2)6-4-3-5-7-9/h8-9H,3-7H2,1-2H3
• InChIKey: BWDBEAQIHAEVLV-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: OCCCCCC(C)C
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: CC(C)CCCCCO
• Formula: C8 H18 O
• Name: 6-METHYLHEPTAN-1-OL;
  METHYL HEPTANOL
• ZINC: ZINC000002039356
• PDB chain: 1oyf Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1oyf Crystal Structure of Russelles viper (Daboia russellii pulchella) phospholipase A2 in a complex with venom 6-methyl heptanol
• Resolution: 2.45 Å
• Binding residue (original residue number in PDB): C45 H48 D49
• Binding residue (residue number reindexed from 1): C44 H47 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:0042130 negative regulation of T cell proliferation
• GO:0050482 arachidonate secretion

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1oyf, PDBe:1oyf, PDBj:1oyf
• PDBsum: 1oyf
• UniProt: P59071|PA2B8_DABRR Basic phospholipase A2 VRV-PL-VIIIa