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MolNFT v1 · #147154 · protein

Crystal structure of human BRD4(1) in complex with CN750

6E4A: “Crystal structure of human BRD4(1) in complex with CN750”. X-ray diffraction, 1 ligand (HRY). MolNFT v1 #147154 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6E4A
Type
protein
Length
251 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O60885
Ligands
HRY

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein126—O60885
B—protein125—O60885

Ligands and binding sites

  • HRY · 5-(4-{[(3-chlorophenyl)methyl]amino}-2-{4-[2-(dimethylamino)ethyl]piperazin-1-yl}quinazolin-6-yl)-1-methylpyridin-2(1H)-one · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B

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

Compared structures

  • 6E4A · Crystal structure of human BRD4(1) in complex with CN750 · 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 0.97

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