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Ligand · V50

V50 · 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide

V50, 4-[(4,6-dimethylpyrimidin-2-yl)thio]-2,3,5,6-tetrafluorobenzenesulfonamide (C12 H9 F4 N3 O2 S2, 367.3 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every binding site with its residues within 4.5…

Component
V50
Formula
C12 H9 F4 N3 O2 S2
Class
ligand
Structures
5
PDB entries
3

Binding sites

V50 in 5 structures; the first of them:

  • 6YHB · Crystal structure of chimeric carbonic anhydrase XII with… · V50 A302 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, ALA131, GLY132 and 10 more
  • 7NZW · Crystal structure of chimeric carbonic anhydrase VA with… · V50 A302 · binds LEU65, GLN67, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121 and 10 more
  • 6QL1 · Crystal structure of chimeric carbonic anhydrase VI with 4-[(4,6… · V50 A305 · binds GLN67, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, TYR131 and 7 more
  • 6YHB · Crystal structure of chimeric carbonic anhydrase XII with 4-[(4,6… · V50 A302 · binds GLN92, HIS94, HIS96, HIS119, VAL121, ALA131, SER135, LEU141 and 7 more
  • 7NZW · Crystal structure of chimeric carbonic anhydrase va with 4-[(4,6… · V50 A302 · binds LEU65, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, TYR130 and 7 more

Residues it binds most

HIS 6, LEU 5, VAL 5, PRO 5, THR 5, GLN 5, TRP 6, GLU 4, SER 3, TYR 3 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • NA · Sodium ion
  • DMS · Dimethyl sulfoxide
  • BCN · Bicine
  • EDO · 1,2-ethanediol

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