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Ligand · DIH

DIH · 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

DIH, 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (C12 H17 N4 O3 +1, 265.3 g/mol), in the MolNFT structures on GenesisL1: bound in 17 records (11 PDB entries). Every…

Component
DIH
Formula
C12 H17 N4 O3 +1
Class
ligand
Structures
17
PDB entries
11

Binding sites

DIH in 17 structures; the first of them:

  • 1N3I · Crystal Structure of Mycobacterium tuberculosis PNP with transition state analog… · DIH A401 · binds SER36, HIS90, TYR92, ALA120, ALA121, GLY122, TYR188, GLU189 and 9 more
  • 1RSZ · Structure of human purine nucleoside phosphorylase in complex with DADMe-Immucillin-H and… · DIH A300 · binds HIS86, TYR88, ALA116, ALA117, GLY118, PHE200, GLU201, VAL217 and 8 more
  • 2A0W · Structure of human purine nucleoside phosphorylase H257G mutant · DIH A300 · binds SER33, HIS86, TYR88, ALA116, ALA117, GLY118, PHE200, GLU201 and 8 more
  • 2A0X · Structure of human purine nucleoside phosphorylase H257F mutant · DIH A300 · binds HIS86, TYR88, ALA116, ALA117, GLY118, PHE200, GLU201, VAL217 and 8 more
  • 2A0Y · Structure of human purine nucleoside phosphorylase H257D mutant · DIH A300 · binds HIS86, TYR88, ALA116, ALA117, GLY118, PHE200, GLU201, VAL217 and 8 more
  • 2P4S · Structure of Purine Nucleoside Phosphorylase from Anopheles gambiae in complex with… · DIH A401 · binds SER118, HIS171, TYR173, ALA201, ALA202, GLY203, PHE285, GLU286 and 9 more
  • 3BGS · Structure of human purine nucleoside phosphorylase with L-DADMe-ImmH and phosphate · DIH A301 · binds SER33, HIS86, TYR88, ALA116, ALA117, GLY118, PHE200, GLU201 and 8 more
  • 3OCC · Crystal structure of PNP with DADMEimmH from Yersinia pseudotuberculosis · DIH A500 · binds MET65, GLY66, ARG88, SER91, CYS92, GLY93, PHE160, VAL179 and 9 more
  • 3OF3 · Crystal structure of PNP with an inhibitor DADME_immH from Vibrio cholerae · DIH A500 · binds MET78, ARG101, SER104, CYS105, GLY106, PHE173, VAL192, GLU193 and 9 more
  • 8PQR · Nucleoside 2'deoxyribosyltransferase from Chroococcidiopsis thermalis PCC 7203 WT bound… · DIH B201 · binds TYR7, ALA9, SER10, PRO11, PHE14, PRO40, PHE41, ASN44 and 12 more
  • 8SWQ · Structure of K. lactis PNP bound to transition state analog DADMe-IMMUCILLIN H and sulfate · DIH A401 · binds SER42, HIS98, TYR100, ALA129, ALA130, GLY131, PHE213, GLU214 and 9 more
  • 1N3I · Crystal structure of mycobacterium tuberculosis pnp with transition state analog… · DIH A401 · binds SER36, HIS90, TYR92, ALA120, ALA121, GLY122, TYR188, GLU189 and 9 more

Residues it binds most

GLY 47, VAL 41, PHE 47, GLU 47, HIS 43, MET 43, ALA 29, SER 41, ILE 24, ARG 18 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • PO4 · Phosphate ion
  • GOL · Glycerol

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