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Ligand · 8CS

8CS · (2r,4ar,5ar,11ar,12as)-8-amino-2-hydroxy-4A,5A,9,11,11A,12A-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4H,6H)-dione 2-oxide

8CS, (2r,4ar,5ar,11ar,12as)-8-amino-2-hydroxy-4A,5A,9,11,11A,12A-hexahydro[1,3,2]dioxaphosphinino[4',5':5,6]pyrano[3,2-g]pteridine-10,12(4H,6H)-dione 2-oxide (C10 H12 N5 O7 P, 345.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
8CS
Formula
C10 H12 N5 O7 P
Class
ligand
Structures
4
PDB entries
2

Binding sites

8CS in 4 structures; the first of them:

  • 2QIE · Staphylococcus aureus molybdopterin synthase in complex with precursor Z · 8CS A501 · binds HIS34, VAL35, ARG36, THR39, THR44, LEU47, TYR49, LYS116 and 9 more
  • 4PYD · MoaC in complex with cPMP crystallized in space group P212121 · 8CS A201 · binds LYS21, ARG26, LEU75, CYS76, HIS77, LEU79, LYS108, THR109 and 7 more
  • 2QIE · Staphylococcus aureus molybdopterin synthase in complex with precursor Z · 8CS A501 · binds HIS34, VAL35, ARG36, THR39, THR44, LEU47, TYR49, LYS116 and 9 more
  • 4PYD · Moac in complex with cpmp crystallized in space group P212121 · 8CS A201 · binds LYS21, ARG26, LEU75, CYS76, HIS77, LEU79, LYS108, THR109 and 7 more

Residues it binds most

LYS 16, GLY 16, ARG 16, GLU 16, HIS 16, LEU 16, THR 16, VAL 16, ALA 8, ASP 8 (residue and the binding sites it lines).

Found with

  • DTT · 2,3-dihydroxy-1,4-dithiobutane
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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