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Ligand · GVS

GVS · ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2H)-yl]oxetan-3-yl}acetate

GVS, ethyl {3-[4-amino-5-{3-[(cyclopropylsulfonyl)amino]prop-1-yn-1-yl}-2-oxopyrimidin-1(2H)-yl]oxetan-3-yl}acetate (C17 H22 N4 O6 S, 410.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
GVS
Formula
C17 H22 N4 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

GVS in 2 structures; the first of them:

  • 2VF3 · Aquifex aeolicus IspE in complex with ligand · GVS A1269 · binds LYS9, ASN11, LEU14, GLY23, TYR24, HIS25, ILE27, TYR31 and 8 more
  • 2VF3 · Aquifex aeolicus ispe in complex with ligand · GVS A1269 · binds LYS9, ASN11, LEU14, GLY23, TYR24, HIS25, ILE27, TYR31 and 8 more

Residues it binds most

TYR 4, GLY 4, LEU 4, LYS 4, THR 4, ALA 4, ASN 4, ASP 4, HIS 4, ILE 4 (residue and the binding sites it lines).

Found with

  • POP · Pyrophosphate 2-
  • BR · Bromide ion
  • CL · Chloride ion

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