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Ligand · BGI

BGI · (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2r,3s, 4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3, 4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name)

BGI, (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2r,3s, 4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3, 4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name) (C20 H25 N5 O10, 495.4 g/mol)…

Component
BGI
Formula
C20 H25 N5 O10
Class
ligand
Structures
5
PDB entries
4

Binding sites

BGI in 5 structures; the first of them:

  • 7STN · Chitin Synthase 2 from Candida albicans bound to Nikkomycin Z · BGI A1202 · binds THR317, MET318, TYR319, GLU321, ASP364, LYS440, LYS441, ASP465 and 11 more
  • 7WJO · CryoEM structure of chitin synthase 1 from Phytophthora sojae complexed with nikkomycin Z · BGI A1001 · binds THR237, MET238, TYR239, GLU241, ASP291, LYS355, LYS358, ASP382 and 11 more
  • 7XS6 · structure of a membrane-integrated glycosyltransferase with inhibitor · BGI B1222 · binds THR453, MET454, TYR455, GLU457, ASP500, ASN575, LYS577, LYS578 and 14 more
  • 8K3X · S. cerevisiae Chs1 in complex with Nikkomycin Z · BGI A1201 · binds THR453, MET454, TYR455, GLU457, LYS577, LYS578, ASP602, ALA603 and 9 more
  • 7STN · Chitin synthase 2 from candida albicans bound to nikkomycin Z · BGI A1202 · binds THR317, MET318, TYR319, GLU321, ASP364, LYS441, ASP465, CYS466 and 7 more

Residues it binds most

THR 10, ASP 10, TYR 10, LYS 10, ALA 10, ARG 10, GLU 10, MET 10, PRO 10, TRP 10 (residue and the binding sites it lines).

Found with

  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine
  • 0V9 · (19R,22S)-25-amino-22-hydroxy-22-oxido-16-oxo-17,21,23-trioxa-22lambda~5~-phosphapentacosan-19-yl (9Z)-hexadec-9-enoate
  • C14 · Tetradecane
  • D12 · Dodecane
  • HP6 · Heptane

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