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Ligand · 3QR

3QR · [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside

3QR, [1-(1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)-1H-1,2,3-triazol-4-yl]methyl alpha-L-idopyranoside (C16 H18 N4 O9 S, 442.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
3QR
Formula
C16 H18 N4 O9 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

3QR in 2 structures; the first of them:

  • 6GCY · Joint neutron and x-ray crystal structure of human carbonic anhydrase IX mimic… · 3QR A302 · binds LEU91, GLN92, HIS94, HIS96, HIS119, VAL121, VAL130, GLY131 and 8 more
  • 6GCY · Joint neutron and X-ray crystal structure of human carbonic anhydrase IX mimic… · 3QR A302 · binds HIS94, HIS96, HIS119, VAL121, VAL130, LEU140, VAL142, LEU197 and 3 more

Residues it binds most

VAL 2, HIS 2, LEU 2, THR 2, TRP 2, GLN 1, GLY 1, SER 1 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion

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