MolNFT v1 · #159197 · protein
Crystal structure of the debrominase BMP8 C82A in complex with 2,3,4- tribromopyrrole
6OHJ: “Crystal structure of the debrominase BMP8 C82A in complex with 2,3,4- tribromopyrrole”. X-ray diffraction, 2 ligands (MKV, SO4), 3 pockets (best druggability 0.78). MolNFT v1 #159197 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6OHJ
- Type
- protein
- Length
- 374 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Debrominase BMP8
- UniProt
- F2K073
- Ligands
- MKV, SO4
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Debrominase BMP8 | protein | 187 | 71% helix, 0% strand | F2K073 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.78 | 0.99 | 17 | MKV |
| 2 | 210 | 0.58 | 0.80 | 46 | empty |
| 3 | 52 | 0.32 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2107 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 6OHJ · Crystal Structure of the Debrominase Bmp8 C82A in Complex with 2,3,4-tribromopyrrole · the same entry in another collection · chain A against A, TM-score 1.00
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 F2K073
- Elsewhere: RCSB PDB 6OHJ · PDBe 6OHJ · UniProt F2K073
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