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Crystal structure of SETDB1 with a modified H3 peptide

X-ray diffraction
1.85Å resolution
PDB entry 6bhh coloured by chain, front view.
PDB entry 6bhh coloured by chain, side view.
PDB entry 6bhh coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Histone H3.1 and Histone-lysine N-methyltransferase SETDB1
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Multimeric state: hetero dimer
Accessible surface area: 11315.32 Å2
Buried surface area: 1544.75 Å2
Dissociation area: 589.94 Å2
Dissociation energy (ΔGdiss): 3.64 kcal/mol
Dissociation entropy (TΔSdiss): 6.63 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-159407

Macromolecules

Histone-lysine N-methyltransferase SETDB1
Chain: A
Length: 239 amino acids
Theoretical weight: 27.56 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q15047 (Residues: 190-410; Coverage: 17%)
Gene names: ESET, KIAA0067, KMT1E, SETDB1
Pfam:
InterPro:
CATH: SH3 type barrels.
Histone-lysine N-methyltransferase SETDB1 in PDB entry 6bhh, assembly 1, front view.
Histone-lysine N-methyltransferase SETDB1 in PDB entry 6bhh, assembly 1, side view.
Histone-lysine N-methyltransferase SETDB1 in PDB entry 6bhh, assembly 1, top view.
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Histone H3.1
Chain: B
Length: 18 amino acids
Theoretical weight: 1.84 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P68431 (Residues: 4-20; Coverage: 13%)
Gene names: H3C1, H3C10, H3C11, H3C12, H3C2, H3C3, H3C4, H3C6, H3C7, H3C8, H3FA, H3FB, H3FC HIST1H3C, H3FD, H3FF, H3FH, H3FI, H3FJ, H3FK, H3FL, HIST1H3A, HIST1H3B, HIST1H3D, HIST1H3E, HIST1H3F, HIST1H3G, HIST1H3H, HIST1H3I, HIST1H3J
Histone H3.1 in PDB entry 6bhh, assembly 1, front view.
Histone H3.1 in PDB entry 6bhh, assembly 1, side view.
Histone H3.1 in PDB entry 6bhh, assembly 1, top view.
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