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Ligand · XA2

XA2 · (R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid

XA2, (R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid (C18 H28 B Cl2 N2 O5 -1, 434.1 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
XA2
Formula
C18 H28 B Cl2 N2 O5 -1
Class
ligand
Structures
4
PDB entries
2

Binding sites

XA2 in 4 structures; the first of them:

  • 4Q3R · Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHDP · XA2 A407 · binds HIS131, ASP154, HIS156, ASP158, ASN160, SER165, ALA166, SER167 and 9 more
  • 5HJA · Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABHDP · XA2 A403 · binds HIS114, ASP137, HIS139, ASP141, ASN143, THR148, SER150, ASN152 and 12 more
  • 4Q3R · Crystal structure of schistosoma mansoni arginase in complex with inhibitor abhdp · XA2 A407 · binds HIS131, ASP154, HIS156, ASP158, ASN160, SER165, ALA166, SER167 and 9 more
  • 5HJA · Crystal structure of leishmania mexicana arginase in complex with inhibitor abhdp · XA2 A403 · binds HIS114, ASP137, HIS139, ASP141, ASN143, THR148, SER150, ASN152 and 12 more

Residues it binds most

ASP 10, HIS 10, GLU 10, SER 10, ASN 10, THR 10, ALA 10, GLY 10, ARG 2, VAL 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • GOL · Glycerol
  • CS · Cesium ion
  • CL · Chloride ion
  • PGE · Triethylene glycol

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