MolNFT v1 · #168955 · protein
BRD4 bromodomain 1 in complex with triple CDK4/6-PI3K-bet inhibitor
6WW8: “BRD4 bromodomain 1 in complex with triple CDK4/6-PI3K-bet inhibitor”. X-ray diffraction, 1 ligand (YR0). MolNFT v1 #168955 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6WW8
- Type
- protein
- Length
- 131 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O60885
- Ligands
- YR0
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 131 | — | O60885 |
Ligands and binding sites
- YR0 · 7-cyclopentyl-N,N-dimethyl-2-({4-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6WW8 · BRD4 Bromodomain 1 in complex with triple CDK4/6-PI3K-BET 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 A 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 O60885
- Elsewhere: RCSB PDB 6WW8 · PDBe 6WW8 · UniProt O60885
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