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Human DNMT1(729-1600) bound to zebularine-containing 12MER dsdna and inhibitor GSK3830334A

Analyse Human DNMT1(729-1600) bound to zebularine-containing 12MER dsdna and inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7SFE
Type
protein + DNA
Length
866 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P26358
Ligands
96I, ZN

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein842—P26358
C—dna12——
D—dna12——

Ligands and binding sites

  • 96I · (2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]amino}-2-phenylacetamide · ligand · chains A, C, D
  • ZN · Zinc ion · metal · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 7 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Compared structures

  • P26358 · AlphaFold monomer V2.0 prediction for DNA (cytosine-5)-methyltransferase 1 (P26358) · a predicted model of the same protein · chain A against A, TM-score 0.98

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