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Ligand · VGV

VGV · N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl) cyclohexanecarboxamide

VGV, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl) cyclohexanecarboxamide (C9 H14 N4 O3 S2, 290.4 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…

Component
VGV
Formula
C9 H14 N4 O3 S2
Class
ligand
Structures
5
PDB entries
3

Binding sites

VGV in 5 structures; the first of them:

  • 7JNZ · Carbonic Anhydrase II Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexanecarbo… · VGV A303 · binds ILE91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131 and 6 more
  • 7JOB · Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclohexan… · VGV A302 · binds LEU91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, VAL131 and 7 more
  • 8DQF · Crystal structure of Neisseria gonorrhoeae carbonic anhydrase with… · VGV A301 · binds LYS89, GLN90, HIS92, HIS94, GLU98, HIS111, VAL113, VAL123 and 5 more
  • 7JNZ · Carbonic anhydrase II complexed with N-(5-sulfamoyl-1,3,4-thiadiazol… · VGV A303 · binds ILE91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131 and 6 more
  • 7JOB · Carbonic anhydrase IX mimic complexed with N-(5-sulfamoyl-1,3,4… · VGV A302 · binds LEU91, GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, VAL131 and 7 more

Residues it binds most

HIS 8, VAL 8, THR 8, LEU 8, GLN 8, GLU 8, SER 8, TRP 8, LYS 3, ILE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • SO4 · Sulfate ion

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