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MolNFT v1 · #180732 · protein

Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536

7L9G: “Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536”. X-ray diffraction, 2 ligands (R78, CL). MolNFT v1 #180732 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7L9G
Type
protein
Length
110 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P25440
Ligands
R78, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein110—P25440

Ligands and binding sites

  • R78 · 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide · ligand · chains A
  • CL · Chloride ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Compared structures

  • 7L9G · Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536 · the same entry in another collection · chain A against A, TM-score 1.00
  • P25440 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 2 (P25440) · a predicted model of the same protein · chain A against A, TM-score 0.99

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