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MolNFT v1 · #142921 · protein

Crystal structure of BRD4 in complex with dmso (cocktail no. 4)

6AJW · Bromodomain-containing protein 4: “Crystal structure of BRD4 in complex with dmso (cocktail no. 4)”. X-ray diffraction, 1 ligand (NA), 1 pocket (best druggability 0.52). MolNFT v1 #142921 on GenesisL1: 3D structure, binding sites…

PDB
6AJW
Type
protein
Length
133 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain-containing protein 4
UniProt
O60885
Ligands
NA
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABromodomain-containing protein 4protein13350% helix, 0% strandO60885

Ligands and binding sites

  • NA · Sodium ion · metal · 3 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · 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
11190.520.8120DMS

Compared structures

  • 6AJW · Crystal structure of BRD4 in complex with DMSO (Cocktail No. 4) · 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 0.92

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