› 5lt8

X-ray diffraction
1.57Å resolution

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

Released:
DOI: 10.2210/pdb5lt8/pdb
PDB entry 5lt8 coloured by chain, front view.
PDB entry 5lt8 coloured by chain, side view.
PDB entry 5lt8 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 Chain: A
Molecule details ›
Chain: A
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

2 bound ligands:
Ligand ZN 3 x ZN
Ligand SFG 1 x SFG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P212121
Unit cell:
a: 43.236Å b: 76.836Å c: 76.847Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.174 0.216
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

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