MolNFT v1 · #190146 · protein
Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157
7WJS: “Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor Y13157”. X-ray diffraction, 1 ligand (JFL). MolNFT v1 #190146 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7WJS
- Type
- protein
- Length
- 323 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O60885
- Ligands
- JFL
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | — | protein | 108 | — | O60885 |
| B | — | protein | 107 | — | O60885 |
Ligands and binding sites
- JFL · 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl) phenyl]-5-methyl-furo[3,2-c]pyridin-4-one · ligand · 3 copies · chains A, B, C
- GOL · Glycerol · additive · 9 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7WJS · Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 O60885
- Elsewhere: RCSB PDB 7WJS · PDBe 7WJS · UniProt O60885
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