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BRD4 bromodomain 2 with a-1354689

Analyse BRD4 bromodomain 2 with a-1354689 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5UVZ
Type
protein
Length
109 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain-containing protein 4
UniProt
O60885
Ligands
8NP
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABromodomain-containing protein 4protein10969% helix, 0% strandO60885

Ligands and binding sites

  • 8NP · 3-methyl-5-(2-phenoxyphenyl)pyridin-2(1H)-one · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11010.480.80178NP

Compared structures

  • 5UVZ · BRD4 Bromodomain 2 with A-1354689 · 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

Analyse

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