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Ligand · WWX

WWX · 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl) sulfonyl]benzenesulfonamide

WWX, 2,3,6-trifluoro-5-{[(1R,2S)-2-hydroxy-1,2-diphenylethyl]amino}-4-[(2-hydroxyethyl) sulfonyl]benzenesulfonamide (C22 H21 F3 N2 O6 S2, 530.5 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every…

Component
WWX
Formula
C22 H21 F3 N2 O6 S2
Class
ligand
Structures
8
PDB entries
4

Binding sites

WWX in 8 structures; the first of them:

  • 4QIY · Crystal structure of human carbonic anhydrase isozyme II with inhibitor · WWX A302 · binds TRP5, ASN62, HIS64, ALA65, ASN67, ILE91, GLN92, HIS94 and 15 more
  • 4QIZ · Crystal structure of human carbonic anhydrase isozyme XIII with inhibitor · WWX A304 · binds TRP7, SER64, HIS66, SER67, ASN69, GLN94, HIS96, HIS98 and 14 more
  • 4QJ0 · Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with… · WWX A303 · binds TRP4, TYR6, ASN64, HIS66, SER67, THR88, GLN89, HIS91 and 17 more
  • 6YH9 · Crystal structure of chimeric carbonic anhydrase XII with… · WWX A302 · binds TRP5, ASN62, HIS64, SER65, LYS67, THR91, GLN92, HIS94 and 17 more
  • 4QIY · Crystal structure of human carbonic anhydrase isozyme II with inhibitor · WWX A302 · binds TRP5, ASN62, HIS64, ALA65, ASN67, ILE91, GLN92, HIS94 and 15 more
  • 4QIZ · Crystal structure of human carbonic anhydrase isozyme xiii with inhibitor · WWX A304 · binds TRP7, SER64, HIS66, SER67, ASN69, GLN94, HIS96, HIS98 and 14 more
  • 4QJ0 · Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with… · WWX A303 · binds TRP4, TYR6, ASN64, HIS66, SER67, THR88, GLN89, HIS91 and 17 more
  • 6YH9 · Crystal structure of chimeric carbonic anhydrase XII with 2,3,6… · WWX A302 · binds TRP5, ASN62, HIS64, SER65, LYS67, THR91, GLN92, HIS94 and 17 more

Residues it binds most

HIS 22, VAL 22, SER 22, LEU 22, THR 22, TRP 22, ASN 22, PRO 22, ALA 22, GLN 22 (residue and the binding sites it lines).

Found with

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

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