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MolNFT v1 · #146498 · protein

Crystal structure of human bromodomain-containing protein 4 (BRD4) bromodomain with MS645

6DJC: “Crystal structure of human bromodomain-containing protein 4 (BRD4) bromodomain with MS645”. X-ray diffraction, 1 ligand (CF6). MolNFT v1 #146498 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6DJC
Type
protein
Length
262 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O60885
Ligands
CF6

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein131—O60885
B—protein131—O60885

Ligands and binding sites

  • CF6 · N,N'-(decane-1,10-diyl)bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide} · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 8 copies · chains A, B

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

Compared structures

  • 6DJC · Crystal structure of human Bromodomain-containing protein 4 (BRD4) bromodomain with MS645 · 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

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