› 6bpi

X-ray diffraction
1.64Å resolution

Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates

Released:
DOI: 10.2210/pdb6bpi/pdb
PDB entry 6bpi coloured by chain, front view.
PDB entry 6bpi coloured by chain, side view.
PDB entry 6bpi coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: MADER P, Mendoza-Sanchez R, DONG A, DOBROVETSKY E, IQBAL A, CORLESS V, TEMPEL W, LIEW SK, SMIL D, DELA SENA CC, KENNEDY S, DIAZ DB, SCHAPIRA M, VEDADI M, BROWN PJ, Santhakumar V, FRYE S, 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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-166475 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
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.
MLY-SER-THR-E2G Chain: B
Molecule details ›
Chain: B
Length: 4 amino acids
Theoretical weight: 677 Da
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand SO4 4 x SO4
Ligand EDO 3 x EDO
Ligand UNX 3 x UNX
1 modified residue:
Ligand MLY 1 x MLY

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 54.731Å b: 63.756Å c: 69.59Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.188 0.199
Expression systems:
  • Escherichia coli
  • Not provided

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