› 6au3

X-ray diffraction
1.8Å resolution

Crystal structure of SETDB1 Tudor domain with aryl triazole fragments

Released:
DOI: 10.2210/pdb6au3/pdb
PDB entry 6au3 coloured by chain, front view.
PDB entry 6au3 coloured by chain, side view.
PDB entry 6au3 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: MADER P, Mendoza-Sanchez R, IQBAL A, DONG A, DOBROVETSKY E, CORLESS VB, LIEW SK, TEMPEL W, SMIL D, DELA SENA CC, KENNEDY S, DIAZ D, HOLOWNIA A, VEDADI M, BROWN PJ, SANTHAKUMAR V, Bountra C, Edwards AM, YUDIN AK, Arrowsmith CH, Structural Genomics Consortium (SGC)

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + a [histone H3]-N(6),N(6)-dimethyl-L-lysine(9) = S-adenosyl-L-homocysteine + a [histone H3]-N(6),N(6),N(6)-trimethyl-L-lysine(9)
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-172172 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histone-lysine N-methyltransferase SETDB1 Chain: A
Molecule details ›
Chain: A
Length: 213 amino acids
Theoretical weight: 24.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q15047 (Residues: 196-402; Coverage: 16%)
Gene names: ESET, KIAA0067, KMT1E, SETDB1
Sequence domains:
Structure domains: SH3 type barrels.

Ligands and Environments

4 bound ligands:
Ligand BWM 1 x BWM
Ligand SO4 4 x SO4
Ligand EDO 1 x EDO
Ligand UNX 7 x UNX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 55.172Å b: 63.528Å c: 69.987Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.179 0.19
Expression system: Escherichia coli

Quick links