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Ligand · B27

B27 · (2R,3S) 3-amino-4-mercapto-2-butanol

B27, (2R,3S) 3-amino-4-mercapto-2-butanol (C4 H11 N O S, 121.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
B27
Formula
C4 H11 N O S
Class
ligand
Structures
3
PDB entries
3

Binding sites

B27 in 3 structures; the first of them:

  • 2KID · Solution structure of the S. aureus sortase a-substrate complex · B27 C705 · binds HIS120, CYS184, TRP194, ARG197, PRO703, ALA704
  • 2RUI · Solution structure of the bacillus anthracis sortase a-substrate complex · B27 B705 · binds SER59, LEU103, ALA124, GLY125, HIS126, ILE185, THR186, CYS187 and 3 more
  • 4LFD · Staphylococcus aureus sortase B-substrate complex · B27 E304 · binds LEU96, PHE111, TYR128, THR177, TYR181, ILE182, THR222, CYS223 and 4 more

Residues it binds most

THR 5, TYR 4, ARG 6, CYS 6, PRO 6, ILE 5, LEU 5, ASN 4, GLN 4, ALA 2 (residue and the binding sites it lines).

Found with

  • PHQ · benzyl chlorocarbonate
  • BOC · Tert-butyl hydrogen carbonate
  • CA · Calcium ion
  • SO4 · Sulfate ion

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