BMP1 complexed with a hydroxamate

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 19% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · chains A
• E8J · (1R,3S,4S)-2-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]heptanoyl}-N-(3-methoxypyrazin-2-yl)-2-azabicyclo[2.2.1]heptane-3-carboxamide · ligand · chains A, B
• ZN · Zinc ion · metal · 3 copies · chains A, B
• SCN · Thiocyanate ion · ion · 4 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 620 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

• 6BTP · BMP1 complexed with a hydroxamate · the same entry in another collection · chain A against A, TM-score 1.00
• P13497 · AlphaFold monomer V2.0 prediction for bone morphogenetic protein 1 (P13497) · 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 P13497
• Elsewhere: RCSB PDB 6BTP · PDBe 6BTP · UniProt P13497