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Ligand · MTI

MTI · 3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium

MTI, 3,4-dihydroxy-2-[(methylsulfanyl)methyl]-5-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)pyrrolidinium (C12 H17 N4 O3 S +1, 297.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
MTI
Formula
C12 H17 N4 O3 S +1
Class
ligand
Structures
2
PDB entries
1

Binding sites

MTI in 2 structures; the first of them:

  • 1Q1G · Crystal structure of Plasmodium falciparum PNP with 5'-methylthio-immucillin-H · MTI A301 · binds VAL66, ARG88, SER91, CYS92, GLY93, TYR160, VAL181, GLU182 and 8 more
  • 1Q1G · Crystal structure of plasmodium falciparum pnp with 5'-methylthio- immucillin-H · MTI A301 · binds VAL66, ARG88, SER91, CYS92, GLY93, TYR160, VAL181, GLU182 and 8 more

Residues it binds most

VAL 12, ARG 12, GLU 12, ASP 12, CYS 12, GLY 12, HIS 12, MET 12, PRO 12, SER 12 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • IPA · Isopropyl alcohol

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