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SETDB1 in complex with a fragment candidate

Analyse SETDB1 in complex with a fragment candidate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KH6
Type
protein
Length
211 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q15047
Ligands
6SU, SO4, CL

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein211—Q15047

Ligands and binding sites

  • 6SU · methyl 3-(methylsulfonylamino)benzoate · ligand · chains A
  • SO4 · Sulfate ion · ion · 5 copies · chains A
  • CL · Chloride ion · ion · 4 copies · chains A
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A
  • ACT · Acetate ion · additive · chains A
  • GOL · Glycerol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 5KH6 · SETDB1 in complex with a fragment candidate · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15047 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SETDB1 (Q15047) · a predicted model of the same protein · chain A against A, TM-score 0.98

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