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Ligand · XSM

XSM · (2R)-4-borono-2-{[(1H-imidazol-4-yl) methyl]amino}butanoic acid

XSM, (2R)-4-borono-2-{[(1H-imidazol-4-yl) methyl]amino}butanoic acid (C8 H14 B N3 O4, 227.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
XSM
Formula
C8 H14 B N3 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

XSM in 2 structures; the first of them:

  • 7LA5 · Structure of human GGT1 in complex with Lnt1-172 compound. · XSM B1102 · binds ARG107, THR381, THR399, ASN401, LEU402, GLU420, ASP422, ASP423 and 10 more
  • 7LA5 · Structure of human GGT1 in complex with LNT1-172 compound. · XSM B1102 · binds ARG107, THR381, THR399, ASN401, LEU402, GLU420, ASP423, PHE433 and 7 more

Residues it binds most

THR 2, GLY 2, SER 2, ASP 2, LEU 2, ARG 2, ASN 2, GLU 2, ILE 2, MET 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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