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Ligand · UR7

UR7 · 1-(3-fluoro-4-methylphenyl)methanesulfonamide

UR7, 1-(3-fluoro-4-methylphenyl)methanesulfonamide (C8 H10 F N O2 S, 203.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
UR7
Formula
C8 H10 F N O2 S
Class
ligand
Structures
5
PDB entries
3

Binding sites

UR7 in 5 structures; the first of them:

  • 5RHU · PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in… · UR7 A705 · binds ARG242, TYR243, MET244, THR245, HIS252, THR265, ARG269
  • 5RL9 · PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 helicase in complex… · UR7 B701 · binds GLU261, GLY285, THR286, GLY287, HIS290, LYS320, ARG442
  • 5RHU · Pandda analysis group deposition -- crystal structure of zika virus NS3 helicase in… · UR7 A705 · binds ARG242, TYR243, MET244, THR245, HIS252, THR265, ARG269
  • 5RL9 · Pandda analysis group deposition -- crystal structure of SARS-cov-2 helicase in complex… · UR7 B701 · binds GLU261, GLY285, THR286, GLY287, HIS290, LYS320, ARG442
  • 5RZS · EPB41L3 pandda analysis group deposition -- crystal structure of the ferm domain of human… · UR7 A401 · binds GLU147, LYS148, ASP149, TYR150, PHE188, PHE386

Residues it binds most

ARG 4, THR 4, GLY 2, HIS 4, GLU 3, LYS 3, TYR 3, MET 2, PHE 1, ASP 1 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • EDO · 1,2-ethanediol
  • ZN · Zinc ion
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • DMS · Dimethyl sulfoxide

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