Crystal structure of bnsp-7 from bothrops pauloensis complexed with P- coumaric acid

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 7% strand (DSSP).

Ligands and binding sites

• ME2 · 1-ethoxy-2-(2-methoxyethoxy)ethane · ligand · 2 copies · chains B, A
• HC4 · 4'-hydroxycinnamic acid · ligand · chains B, A
• SO4 · Sulfate ion · ion · 9 copies · chains B, A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• B–A · 720 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

• 5VFM · Crystal structure of BnSP-7 from Bothrops pauloensis complexed with p-coumaric acid · the same entry in another collection · chain B against B, TM-score 1.00
• Q9IAT9 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 homolog bnsp-7 (Q9IAT9) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9IAT9
• Elsewhere: RCSB PDB 5VFM · PDBe 5VFM · UniProt Q9IAT9