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Ligand · IM5

IM5 · 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

IM5, 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one (C12 H17 N5 O3, 279.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding…

Component
IM5
Formula
C12 H17 N5 O3
Class
ligand
Structures
5
PDB entries
4

Binding sites

IM5 in 5 structures; the first of them:

  • 5ETJ · Crystal structure of purine nucleoside phosphorylase (E258D, L261A) mutant from human… · IM5 A301 · binds SER33, HIS86, TYR88, ALA116, ALA117, GLY118, VAL195, PHE200 and 9 more
  • 5UGF · Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with… · IM5 A308 · binds SER33, HIS86, TYR88, ALA116, ALA117, GLY118, VAL195, PHE200 and 11 more
  • 8SWS · Structure of K. lactis PNP S42E-H98R variant bound to transition state analog… · IM5 A401 · binds GLU42, ARG98, TYR100, ALA129, ALA130, GLY131, VAL208, PHE213 and 10 more
  • 5UGF · Crystal structure of human purine nucleoside phosphorylase (F159Y) mutant complexed with… · IM5 A308 · binds SER33, HIS86, TYR88, ALA116, ALA117, GLY118, VAL195, PHE200 and 10 more
  • 6AQS · Crystal structure of plasmodium falciparum purine nucleoside phosphorylase (V181D) mutant… · IM5 A302 · binds VAL66, SER91, CYS92, GLY93, TYR160, ASP181, GLU182, MET183 and 2 more

Residues it binds most

VAL 23, ALA 22, GLY 23, HIS 22, TYR 23, PHE 22, GLU 23, MET 23, ASN 22, THR 22 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol

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