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Ligand · 6IV

6IV · 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside

6IV, 2-[1-(1,1,3-trioxo-2,3-dihydro-1H-1lambda~6~,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]ethyl beta-L-gulopyranoside (C17 H20 N4 O9 S, 456.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every…

Component
6IV
Formula
C17 H20 N4 O9 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

6IV in 4 structures; the first of them:

  • 7RRE · Carbonic Anhydrase II in complex with Beta-Galactose-2C · 6IV A301 · binds ILE91, GLN92, HIS94, HIS119, VAL121, PHE131, GLY132, VAL135 and 8 more
  • 7RRF · Carbonic Anhydrase IX-mimic in complex with Beta-Galactose_2C · 6IV A301 · binds GLN67, THR69, LEU91, GLN92, HIS94, HIS96, GLU106, HIS119 and 10 more
  • 7RRE · Carbonic anhydrase II in complex with beta-galactose-2C · 6IV A301 · binds ILE91, GLN92, HIS94, HIS119, VAL121, PHE131, GLY132, VAL135 and 8 more
  • 7RRF · Carbonic anhydrase IX-mimic in complex with beta-GALACTOSE_2C · 6IV A301 · binds GLN67, THR69, LEU91, GLN92, HIS94, HIS96, GLU106, HIS119 and 10 more

Residues it binds most

VAL 4, LEU 6, HIS 4, THR 4, GLN 6, LYS 2, ARG 2, ASN 2, GLU 2, GLY 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • GOL · Glycerol

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