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MolNFT v1 · #140861 · protein

Crystal structure of BRD4-BD1 bound with HJP126

5YOV · Bromodomain-containing protein 4: “Crystal structure of BRD4-BD1 bound with HJP126”. X-ray diffraction, 1 ligand (8XR), 1 pocket (best druggability 0.56). MolNFT v1 #140861 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5YOV
Type
protein
Length
126 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain-containing protein 4
UniProt
O60885
Ligands
8XR
Pockets
1 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABromodomain-containing protein 4protein12652% helix, 0% strandO60885

Ligands and binding sites

  • 8XR · (3~{R})-4-cyclopentyl-~{N}-(2,4-dimethylphenyl)-1,3-dimethyl-2-oxidanylidene-3~{H}-quinoxaline-6-carboxamide · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11350.560.82268XR

Compared structures

  • 5YOV · Crystal structure of BRD4-BD1 bound with hjp126 · 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 0.97

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