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MolNFT v1 · #166653 · protein

Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516

6UWU: “Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor ZL0516”. X-ray diffraction, 1 ligand (QKP). MolNFT v1 #166653 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6UWU
Type
protein
Length
126 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O60885
Ligands
QKP

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein126—O60885

Ligands and binding sites

  • QKP · 2-{4-[(2R)-2-hydroxy-3-(4-methylpiperazin-1-yl) propoxy]-3,5-dimethylphenyl}-5,7-dimethoxy-4H-1-benzopyran-4-one · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6UWU · 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 A against A, TM-score 0.97

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