BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2- (oxidanylamino)-2-oxidanylidene-ETHYL]HEPTANOYL]-2- AZABICYCLO[2.2.1]HEPTAN-3-YL]CARBONYLAMINO]-2-phenyl-ethanoic acid

Structure

x-ray diffraction · 2 distinct chains · 31% helix, 18% strand (DSSP).

Ligands and binding sites

• E8P · (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxidanylidene-ethyl]heptanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]carbonylamino]-2-phenyl-ethanoic acid · ligand · chains A, B
• ZN · Zinc ion · metal · 3 copies · chains A, B
• SCN · Thiocyanate ion · ion · 2 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

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

Interfaces

1 interface between chains.

• A–B · 616 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

• 6BTO · BMP1 complexed with (2~{S})-2-[[(1~{R},3~{S},4~{S})-2-[(2~{R})-2-[2-(oxidanylamino)-2-oxid… · 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 A 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 6BTO · PDBe 6BTO · UniProt P13497