MolNFT v1 · #144410 · protein
BMP1 complexed with a reverse hydroxamate - compound 4
6BSM · Bone morphogenetic protein 1: “BMP1 complexed with a reverse hydroxamate - compound 4”. X-ray diffraction, 3 ligands (ACE, E7D, ZN), 1 pocket (best druggability 0.52). MolNFT v1 #144410 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6BSM
- Type
- protein
- Length
- 200 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bone morphogenetic protein 1
- EC
- 3.4.24.19
- UniProt
- P13497
- Ligands
- ACE, E7D, ZN
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bone morphogenetic protein 1 (EC 3.4.24.19) | protein | 200 | 31% helix, 18% strand | P13497 |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A
- E7D · N-({[(2R)-2-{[hydroxy(hydroxymethyl) amino]methyl}heptanoyl]amino}methyl)-7-methoxy-1-benzofuran-2-carboxamide · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.52 | 0.75 | 32 | ZN, E7D |
Modifications
Observed in the structure: 3 disulfide, 1 covalent (disulfide, covalent ligand).
Compared structures
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 6BSM · PDBe 6BSM · UniProt P13497
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