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Ligand · TT8

TT8 · (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid

TT8, (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid (C15 H22 N6 O5 S, 398.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
TT8
Formula
C15 H22 N6 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

TT8 in 2 structures; the first of them:

  • 3SR4 · Crystal Structure of Human DOT1L in Complex with a Selective Inhibitor · TT8 A417 · binds PRO133, GLU134, VAL135, TYR136, GLY137, GLU138, THR139, ASP161 and 17 more
  • 3SR4 · Crystal structure of human DOT1L in complex with a selective inhibitor · TT8 A417 · binds PRO133, GLU134, VAL135, TYR136, GLY137, GLU138, THR139, ASP161 and 17 more

Residues it binds most

GLY 2, GLU 2, PHE 2, VAL 2, ASP 2, PRO 2, ALA 2, ASN 2, GLN 2, LEU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • GOL · Glycerol

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