MolNFT v1 · #182459 · protein
Crystal structure of the first bromodomain (BD1) of human brdt bound to nc-II-259
7MRH · Bromodomain testis-specific protein: “Crystal structure of the first bromodomain (BD1) of human brdt bound to nc-II-259”. X-ray diffraction, 1 ligand (ZMJ), 5 pockets (best druggability 0.52). MolNFT v1 #182459 on GenesisL1: 3D…
- PDB
- 7MRH
- Type
- protein
- Length
- 218 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain testis-specific protein
- UniProt
- Q58F21
- Ligands
- ZMJ
- Pockets
- 5 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bromodomain testis-specific protein | protein | 109 | 63% helix, 0% strand | Q58F21 |
Ligands and binding sites
- ZMJ · N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl) phenyl]ethanesulfonamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.52 | 0.85 | 17 | empty |
| 2 | 86 | 0.48 | 0.81 | 18 | ZMJ |
| 3 | 145 | 0.47 | 0.77 | 29 | empty |
| 4 | 105 | 0.46 | 0.79 | 19 | ZMJ |
| 5 | 58 | 0.31 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 775 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7MRH · Crystal structure of the first bromodomain (BD1) of human BRDT bound to NC-II-259 · the same entry in another collection · chain A against A, TM-score 1.00
- Q58F21 · AlphaFold monomer V2.0 prediction for bromodomain testis-specific protein (Q58F21) · a predicted model of the same protein · chain B 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 Q58F21
- Elsewhere: RCSB PDB 7MRH · PDBe 7MRH · UniProt Q58F21
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