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Ligand · X7A

X7A · [(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)

X7A, [(5R)-5-amino-5-carboxy-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) (C13 H28 B N2 O5 -1, 303.2 g/mol), in the MolNFT structures on GenesisL1: bound in 7 records (4 PDB entries). Every binding site with its residues within 4.5 Å…

Component
X7A
Formula
C13 H28 B N2 O5 -1
Class
ligand
Structures
7
PDB entries
4

Binding sites

X7A in 7 structures; the first of them:

  • 4HWW · Crystal structure of human Arginase-1 complexed with inhibitor 9 · X7A A901 · binds HIS101, ASP124, HIS126, ASP128, ASN130, THR135, THR136, SER137 and 9 more
  • 4HZE · Crystal structure of human Arginase-2 complexed with inhibitor 9 · X7A A406 · binds HIS120, ASP143, HIS145, ASP147, ASN149, THR154, SER155, SER156 and 9 more
  • 4Q3S · Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHPE · X7A A403 · binds HIS131, ASP154, HIS156, ASP158, ASN160, SER165, SER167, HIS171 and 9 more
  • 4HWW · Crystal structure of human arginase-1 complexed with inhibitor 9 · X7A A901 · binds HIS101, ASP124, HIS126, ASP128, ASN130, THR135, THR136, SER137 and 9 more
  • 4HZE · Crystal structure of human arginase-2 complexed with inhibitor 9 · X7A A406 · binds HIS120, ASP143, HIS145, ASP147, ASN149, THR154, SER155, SER156 and 9 more
  • 4Q3S · Crystal structure of schistosoma mansoni arginase in complex with inhibitor abhpe · X7A A403 · binds HIS131, ASP154, HIS156, ASP158, ASN160, SER165, SER167, HIS171 and 9 more
  • 5HJ9 · Crystal structure of leishmania mexicana arginase in complex with inhibitor abhpe · X7A A403 · binds HIS114, ASP137, HIS139, ASP141, ASN143, THR148, VAL149, SER150 and 9 more

Residues it binds most

ASP 19, HIS 19, GLU 19, THR 19, SER 19, ASN 19, GLY 19, LEU 4, VAL 1 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • GOL · Glycerol
  • BEN · Benzamidine
  • BME · Beta-mercaptoethanol
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • PGE · Triethylene glycol

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