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MolNFT v1 · #189001 · protein

Drosophila melanogaster SETDB1-tuor domain with peptide H3K9ME2K14AC

7UVE · Histone-lysine N-methyltransferase eggless: “Drosophila melanogaster SETDB1-tuor domain with peptide H3K9ME2K14AC”. X-ray diffraction, 1 pocket (best druggability 0.49). MolNFT v1 #189001 on GenesisL1: 3D structure, binding sites…

PDB
7UVE
Type
protein
Length
236 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone-lysine N-methyltransferase eggless; Peptide H3K9ME2K14AC
EC
2.1.1.355
UniProt
Q32KD2
Pockets
1 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 39% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone-lysine N-methyltransferase eggless (EC 2.1.1.355)protein22913% helix, 40% strandQ32KD2
BPeptide H3K9ME2K14ACprotein70% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11600.490.7726empty

Interfaces

1 interface between chains.

  • A–B · 509 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (acetylation).

Compared structures

  • 7UVE · Drosophila melanogaster setdb1-tuor domain with peptide H3K9me2K14ac · the same entry in another collection · chain A against A, TM-score 1.00
  • Q32KD2 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase eggless (Q32KD2) · a predicted model of the same protein · chain A against A, TM-score 0.96

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