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Joint nentron and X-ray structure of BRD4 in complex with colchicin

Analyse Joint nentron and X-ray structure of BRD4 in complex with colchicin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6AJZ
Type
protein
Length
133 residues
Chains
1
Method
x-ray diffraction; neutron diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain-containing protein 4
UniProt
O60885
Ligands
LOC, NA
Pockets
1 · best druggability 0.50

Structure

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

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

Ligands and binding sites

  • LOC · N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide · ligand · chains A
  • NA · Sodium ion · metal · 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
11230.500.8019LOC

Compared structures

  • 6AJZ · Joint nentron and X-ray structure of BRD4 in complex with colchicin · 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 0.93

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