GL1X · GenesisL1 explorer

MolNFT v1 · #135546 · protein

BRD4 first bromodomain (BD1) in complex with dual PI3 kinase inhibitor SF2523

5U28: “BRD4 first bromodomain (BD1) in complex with dual PI3 kinase inhibitor SF2523”. X-ray diffraction, 2 ligands (82V, SCN). MolNFT v1 #135546 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5U28
Type
protein
Length
134 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O60885
Ligands
82V, SCN

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein134—O60885

Ligands and binding sites

  • 82V · 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one · ligand · chains A
  • SCN · Thiocyanate ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Compared structures

  • 5U28 · BRD4 first bromodomain (BD1) in complex with dual PI3 kinase inhibitor SF2523 · 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 0.96

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