GL1X · GenesisL1 explorer

MolNFT v1 · #167376 · protein

BRD4_BROMODOMAIN2 complex with pyrrolopyridone compound 18

6VIX: “BRD4_BROMODOMAIN2 complex with pyrrolopyridone compound 18”. X-ray diffraction, 1 ligand (QYV). MolNFT v1 #167376 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6VIX
Type
protein
Length
430 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O60885
Ligands
QYV

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, D—protein107—O60885
B—protein108—O60885
C—protein108—O60885

Ligands and binding sites

  • QYV · 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide · ligand · 4 copies · chains A, C, B, D

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

Compared structures

  • 6VIX · BRD4_Bromodomain2 complex with pyrrolopyridone compound 18 · the same entry in another collection · chain D against D, TM-score 1.00
  • O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain D against A, TM-score 0.98

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