MolNFT v1 · #180660 · protein
Crystal structure of the first bromodomain (BD1) of human brdt bound to ERK5-in-1
7L73 · Bromodomain testis-specific protein: “Crystal structure of the first bromodomain (BD1) of human brdt bound to ERK5-in-1”. X-ray diffraction, 1 ligand (VYJ), 1 pocket (best druggability 0.51). MolNFT v1 #180660 on GenesisL1: 3D…
- PDB
- 7L73
- Type
- protein
- Length
- 112 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain testis-specific protein
- UniProt
- Q58F21
- Ligands
- VYJ
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 1 distinct chain · 64% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain testis-specific protein | protein | 112 | 64% helix, 0% strand | Q58F21 |
Ligands and binding sites
- VYJ · 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one · ligand · 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 | 128 | 0.51 | 0.80 | 21 | VYJ |
Compared structures
- 7L73 · Crystal structure of the first bromodomain (BD1) of human BRDT bound to ERK5-IN-1 · 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 A against A, TM-score 0.95
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 7L73 · PDBe 7L73 · UniProt Q58F21
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