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Ligand · 3J4

3J4 · (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol

3J4, (6S)-2,6-anhydro-6-{[(3R)-3-(sulfamoyloxy)pyrrolidin-1-yl]sulfonyl}-D-glucitol (C10 H20 N2 O10 S2, 392.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
3J4
Formula
C10 H20 N2 O10 S2
Class
sugar
Structures
4
PDB entries
2

Binding sites

3J4 in 4 structures; the first of them:

  • 4R5A · A Carbonic Anhydrase IX Mimic in Complex with a Carbohydrate-Based Sulfamate · 3J4 A303 · binds TRP5, ASN62, HIS64, SER65, GLN67, GLN92, HIS94, HIS96 and 11 more
  • 4R5B · Human Carbonic Anhydrase II in Complex with a Carbohydrate-Based Sulfamate · 3J4 A303 · binds TRP5, ASN62, HIS64, ASN67, GLN92, HIS94, HIS96, GLU106 and 9 more
  • 4R5A · A carbonic anhydrase IX mimic in complex with a carbohydrate-based sulfamate · 3J4 A303 · binds TRP5, ASN62, HIS64, SER65, GLN67, GLN92, HIS94, HIS96 and 11 more
  • 4R5B · Human carbonic anhydrase II in complex with a carbohydrate-based sulfamate · 3J4 A303 · binds TRP5, ASN62, HIS64, ASN67, GLN92, HIS94, HIS96, GLU106 and 9 more

Residues it binds most

HIS 4, THR 4, TRP 4, VAL 4, ASN 4, GLN 4, SER 4, GLU 4, LEU 4, PRO 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • GOL · Glycerol

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