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MolNFT v1 · #186613 · protein

Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with BCLTF1

7RJN · Bromodomain-containing protein 3: “Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with BCLTF1”. X-ray diffraction, 1 pocket (best druggability 0.34). MolNFT v1 #186613 on GenesisL1: 3D structure…

PDB
7RJN
Type
protein
Length
250 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain-containing protein 3; BCL-2-associated transcription factor 1
UniProt
Q15059, Q9NYF8
Pockets
1 · best druggability 0.34

Structure

x-ray diffraction · 3 distinct chains · 54% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABromodomain-containing protein 3protein12254% helix, 0% strandQ15059
BBromodomain-containing protein 3protein12056% helix, 0% strandQ15059
C, DBCL-2-associated transcription factor 1protein40% helix, 0% strandQ9NYF8

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

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
1810.340.7518empty

Interfaces

3 interfaces between chains.

  • A–B · 1049 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 443 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 441 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (acetylation).

Compared structures

  • 7RJN · Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with BCLTF1 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q15059 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 3 (Q15059) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • Q9NYF8 · AlphaFold monomer V2.0 prediction for BCL-2-associated transcription factor 1 (Q9NYF8) · a predicted model of the same protein · chain C against A, TM-score 0.82

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