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Ligand · TWY

TWY · 4-thio-beta-D-xylopyranose

TWY, 4-thio-beta-D-xylopyranose (C5 H10 O4 S, 166.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with…

Component
TWY
Formula
C5 H10 O4 S
Class
sugar
Structures
6
PDB entries
3

Binding sites

TWY in 6 structures; the first of them:

  • 1XNK · Beta-1,4-xylanase from Chaetomium thermophilum complexed with methyl thioxylopentoside · TWY C2 · binds SER17, TRP19, VAL47, TYR78, TRP80, PRO127, SER128, ILE129 and 1 more
  • 3CUI · Cellulomonas fimi Xylanase/Cellulase Cex (Cf Xyn10A) in complex with sulfur substituted… · TWY B1 · binds GLU127, TYR171, GLN203, HIS205, TRP281, PHE286
  • 3CUJ · Cellulomonas fimi Xylanase/Cellulase Cex (Cf Xyn10A) in complex with sulfur substituted… · TWY B1 · binds ASP131, TYR171, ASN172, HIS205, LEU206, ILE207, ARG237, PHE286
  • 1XNK · Beta-1,4-xylanase from chaetomium thermophilum complexed with methyl thioxylopentoside · TWY C2 · binds SER17, TRP19, VAL47, TYR78, TRP80, PRO127, SER128, ILE129 and 1 more
  • 3CUI · Cellulomonas fimi XYLANASE/CELLULASE cex (cf XYN10A) in complex with sulfur substituted… · TWY B1 · binds GLU127, TYR171, GLN203, HIS205, TRP281, PHE286
  • 3CUJ · Cellulomonas fimi XYLANASE/CELLULASE cex (cf XYN10A) in complex with sulfur substituted… · TWY B1 · binds ASP131, TYR171, ASN172, HIS205, LEU206, ILE207, ARG237, PHE286

Residues it binds most

TRP 20, GLU 16, TYR 10, GLN 12, SER 8, HIS 10, ILE 10, LYS 8, ASN 6, PHE 6 (residue and the binding sites it lines).

Found with

  • XYP · beta-D-xylopyranose
  • Z4U · methyl 4-thio-alpha-D-xylopyranoside
  • SO4 · Sulfate ion

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