MolNFT v1 · #134542 · protein
Crystal structure of br derivative BHCBM56
5T7A · BH0236 protein: “Crystal structure of br derivative BHCBM56”. X-ray diffraction, 1 ligand (BR), 1 pocket (best druggability 0.52). MolNFT v1 #134542 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5T7A
- Type
- protein
- Length
- 185 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BH0236 protein
- UniProt
- Q9KG76
- Ligands
- BR
- Pockets
- 1 · best druggability 0.52
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 60% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BH0236 protein | protein | 93 | 0% helix, 60% strand | Q9KG76 |
| B | BH0236 protein | protein | 92 | 0% helix, 60% strand | Q9KG76 |
Ligands and binding sites
- BR · Bromide ion · ion · 7 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
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 | 156 | 0.52 | 0.79 | 35 | BR, EDO |
Interfaces
1 interface between chains.
- A–B · 460 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5T7A · Crystal structure of Br derivative BhCBM56 · 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 Q9KG76
- Elsewhere: RCSB PDB 5T7A · PDBe 5T7A · UniProt Q9KG76
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.