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MolNFT v1 · #141266 · protein

Crystal structure analysis of the BRD4

5Z1R · Bromodomain-containing protein 4: “Crystal structure analysis of the BRD4”. X-ray diffraction, 2 ligands (EFL, NO3), 1 pocket (best druggability 0.53). MolNFT v1 #141266 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5Z1R
Type
protein
Length
134 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain-containing protein 4
UniProt
O60885
Ligands
EFL, NO3
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABromodomain-containing protein 4protein13449% helix, 0% strandO60885

Ligands and binding sites

  • EFL · 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide · ligand · chains A
  • NO3 · Nitrate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A
  • GOL · Glycerol · 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
11000.530.8320EFL

Compared structures

  • 5Z1R · Crystal Structure Analysis of the BRD4 · 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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