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Ligand · P1H

P1H · {(2R,3S,4R,5R)-5-[(4S)-3-(aminocarbonyl)-4-(2-propylisonicotinoyl)pyridin-1(4H)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}m ethyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate

P1H, {(2R,3S,4R,5R)-5-[(4S)-3-(aminocarbonyl)-4-(2-propylisonicotinoyl)pyridin-1(4H)-yl]-3,4-dihydroxytetrahydrofuran-2-yl}m ethyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate…

Component
P1H
Formula
C30 H38 N8 O15 P2
Class
ligand
Structures
4
PDB entries
2

Binding sites

P1H in 4 structures; the first of them:

  • 2NTJ · Mycobacterium tuberculosis InhA bound with PTH-NAD adduct · P1H A300 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 23 more
  • 2NTV · Mycobacterium leprae InhA bound with PTH-NAD adduct · P1H A300 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 23 more
  • 2NTJ · Mycobacterium tuberculosis inha bound with pth-NAD adduct · P1H A300 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 23 more
  • 2NTV · Mycobacterium leprae inha bound with pth-NAD adduct · P1H A300 · binds GLY14, ILE15, ILE16, SER20, ILE21, ALA22, PHE41, LEU63 and 23 more

Residues it binds most

ILE 8, MET 8, GLY 8, PHE 8, ALA 8, ASP 8, LEU 8, SER 8, GLN 8, LYS 8 (residue and the binding sites it lines).

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