BMP1 complexed with a hydroxamate - compound 2

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
• E8S · N~2~-[(2H-1,3-benzodioxol-5-yl)methyl]-N-hydroxy-N~2~-[(4-methoxyphenyl)sulfonyl]-3-thiophen-2-yl-D-alaninamide · ligand · chains A
• ZN · Zinc ion · metal · 4 copies · chains A, B
• SCN · Thiocyanate ion · ion · 4 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 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, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 616 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

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

Compared structures

• 6BTQ · BMP1 complexed with a hydroxamate - compound 2 · 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 0.97

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 6BTQ · PDBe 6BTQ · UniProt P13497