BMP1 complexed with a reverse hydroxymate - compound 1

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 17% strand (DSSP).

Ligands and binding sites

• ACE · Acetyl group · ligand · 2 copies · chains A, B
• E8M · (3S)-6-cyclohexyl-3-{3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl}-N-hydroxyhexanamide · ligand · chains A
• ZN · Zinc ion · metal · 4 copies · chains A, B
• EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 640 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 2 covalent (disulfide, covalent ligand).

Compared structures

• 6BTN · BMP1 complexed with a reverse hydroxymate - compound 1 · the same entry in another collection · chain B against B, 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 0.97

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 6BTN · PDBe 6BTN · UniProt P13497