› 5lt6

X-ray diffraction
2.05Å resolution

Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives

Released:
DOI: 10.2210/pdb5lt6/pdb
PDB entry 5lt6 coloured by chain, front view.
PDB entry 5lt6 coloured by chain, side view.
PDB entry 5lt6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
Tisi D, Chiarparin E, Tamanini E, Pathuri P, Coyle JE, Hold A, Holding FP, Amin N, Martin AC, Rich SJ, Berdini V, Yon J, Acklam P, Burke R, Drouin L, Harmer JE, Jeganathan F, van Montfort RL, Newbatt Y, Tortorici M, Westlake M, Wood A, Hoelder S, Heightman TD
ACS Chem Biol 11 3093-3105 (2016)
PMID: 27571355

Function and Biology Details

Reaction catalysed: 
(1a) S-adenosyl-L-methionine + a [histone H3]-L-lysine(36) = S-adenosyl-L-homocysteine + a [histone H3]-N(6)-methyl-L-lysine(36)
Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189845 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histone-lysine N-methyltransferase SETD2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 295 amino acids
Theoretical weight: 34.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9BYW2 (Residues: 1433-1711; Coverage: 11%)
Gene names: HIF1, HSPC069, HYPB, KIAA1732, KMT3A, SET2, SETD2
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand ZN 6 x ZN
Ligand SCN 2 x SCN
Ligand 76J 2 x 76J
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P21
Unit cell:
a: 57.36Å b: 72.7Å c: 61.86Å
α: 90° β: 89.77° γ: 90°
R-values:
R R work R free
0.182 0.179 0.231
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Inhibitors of Protein Methyltransferases and Demethylases.
Kaniskan et al. (2018)
6 more

1 mention without citation

Discovery of a Non-Nucleoside SETD2 Methyltransferase Inhibitor against Acute Myeloid Leukemia.
Bajusz et al. (2021)