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MolNFT v1 · #186610 · protein

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

7RJK · Bromodomain-containing protein 3: “Crystal structure of human bromodomain containing protein 3 (BRD3) in complex with hnrnpk”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.39). MolNFT v1 #186610 on GenesisL1: 3D…

PDB
7RJK
Type
protein
Length
260 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bromodomain-containing protein 3; Heterogeneous nuclear ribonucleoprotein K
UniProt
Q15059, P61978
Ligands
SO4
Pockets
3 · best druggability 0.39

Structure

x-ray diffraction · 3 distinct chains · 53% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABromodomain-containing protein 3protein12155% helix, 0% strandQ15059
BBromodomain-containing protein 3protein12155% helix, 0% strandQ15059
C, DHeterogeneous nuclear ribonucleoprotein Kprotein90% helix, 0% strandP61978

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains B, A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, C, B
  • GOL · Glycerol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11090.390.7518EDO
21210.380.7429empty
3540.310.7616empty

Interfaces

3 interfaces between chains.

  • A–B · 1020 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 685 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 671 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (acetylation).

Compared structures

  • 7RJK · Crystal structure of human Bromodomain containing protein 3 (BRD3) in complex with hnRNPK · 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 B against A, TM-score 0.97
  • P61978 · AlphaFold monomer V2.0 prediction for heterogeneous nuclear ribonucleoprotein K (P61978) · a predicted model of the same protein · chain C against A, TM-score 0.40

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