› 4e47

X-ray diffraction
2Å resolution

SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6- sulfonamide and S-adenosylmethionine

Released:
DOI: 10.2210/pdb4e47/pdb
PDB entry 4e47 coloured by chain, front view.
PDB entry 4e47 coloured by chain, side view.
PDB entry 4e47 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Walker JR, Ouyang H, Dong A, Fish P, Cook A, Barsyte D, Vedadi M, Tatlock J, Owen D, Bunnage M, Bountra C, Weigelt J, Edwards AM, Arrowsmith CH, Brown PJ, Structural Genomics Consortium (SGC)

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + a [histone H3]-L-lysine(4) = S-adenosyl-L-homocysteine + a [histone H3]-N(6)-methyl-L-lysine(4)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186700 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Histone-lysine N-methyltransferase SETD7 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 264 amino acids
Theoretical weight: 29.68 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8WTS6 (Residues: 109-366; Coverage: 71%)
Gene names: KIAA1717, KMT7, SET7, SET9, SETD7
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand SAM 4 x SAM
Ligand 0N6 4 x 0N6
Ligand BME 1 x BME
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2221
Unit cell:
a: 117.343Å b: 133.799Å c: 136.865Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.16 0.201
Expression system: Escherichia coli BL21(DE3)

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