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MolNFT v1 · #186616 · protein

Crystal structure of human bromodomain containing protein 4 (BRD4) in complex with ILF3

7RJQ · Bromodomain-containing protein 4: “Crystal structure of human bromodomain containing protein 4 (BRD4) in complex with ILF3”. X-ray diffraction, 2 ligands (NA, CL), 1 pocket (best druggability 0.40). MolNFT v1 #186616 on GenesisL1…

PDB
7RJQ
Type
protein
Length
133 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain-containing protein 4; Interleukin enhancer-binding factor 3
UniProt
O60885, Q12906
Ligands
NA, CL
Pockets
1 · best druggability 0.40

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABromodomain-containing protein 4protein12552% helix, 0% strandO60885
BInterleukin enhancer-binding factor 3protein838% helix, 0% strandQ12906

Ligands and binding sites

  • NA · Sodium ion · metal · 5 copies · chains A
  • CL · Chloride ion · ion · 3 copies · chains A, B
  • EDO · 1,2-ethanediol · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1510.400.8224empty

Interfaces

1 interface between chains.

  • A–B · 442 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (acetylation).

Compared structures

  • 7RJQ · Crystal structure of human Bromodomain containing protein 4 (BRD4) in complex with ILF3 · 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
  • Q12906 · AlphaFold monomer V2.0 prediction for interleukin enhancer-binding factor 3 (Q12906) · a predicted model of the same protein · chain B against A, TM-score 0.49

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