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Ligand · B2J

B2J · 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine

B2J, 4-(ethylsulfanyl)-6-methyl-1,3,5-triazin-2-amine (C6 H10 N4 S, 170.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
B2J
Formula
C6 H10 N4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

B2J in 4 structures; the first of them:

  • 3B24 · Hsp90 alpha N-terminal domain in complex with an aminotriazine fragment molecule · B2J A237 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 3 more
  • 4EGI · Hsp90-alpha ATPase domain in complex with 2-Amino-4-ethylthio-6-methyl-1,3,5-triazine · B2J A301 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, LEU107 and 1 more
  • 3B24 · HSP90 alpha N-terminal domain in complex with an aminotriazine fragment molecule · B2J A237 · binds ASN51, SER52, ALA55, LYS58, ASP93, ILE96, GLY97, MET98 and 3 more
  • 4EGI · HSP90-alpha ATPase domain in complex with 2-amino-4-ethylthio-6- methyl-1,3,5-triazine · B2J A301 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, LEU107 and 1 more

Residues it binds most

ASN 6, ALA 6, ASP 6, GLY 6, ILE 6, LEU 6, MET 6, SER 6, THR 6, PHE 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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