GL1X · GenesisL1 explorer

Ligand · X8A

X8A · [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-)

X8A, [(5R)-5-carboxy-5-(methylamino)-7-(piperidin-1-yl)heptyl](trihydroxy)borate(1-) (C14 H30 B N2 O5 -1, 317.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
X8A
Formula
C14 H30 B N2 O5 -1
Class
ligand
Structures
4
PDB entries
2

Binding sites

X8A in 4 structures; the first of them:

  • 4HXQ · Crystal structure of human Arginase-1 complexed with inhibitor 14 · X8A A901 · binds HIS101, ASP124, HIS126, ASP128, ASN130, THR135, THR136, SER137 and 10 more
  • 4I06 · Crystal structure of human Arginase-2 complexed with inhibitor 14 · X8A A406 · binds HIS120, ASP143, HIS145, ASP147, ASN149, THR154, SER155, SER156 and 9 more
  • 4HXQ · Crystal structure of human arginase-1 complexed with inhibitor 14 · X8A A901 · binds HIS101, ASP124, HIS126, ASP128, ASN130, THR135, THR136, SER137 and 10 more
  • 4I06 · Crystal structure of human arginase-2 complexed with inhibitor 14 · X8A A406 · binds HIS120, ASP143, HIS145, ASP147, ASN149, THR154, SER155, SER156 and 9 more

Residues it binds most

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

Found with

  • MN · Manganese (II) ion
  • BEN · Benzamidine
  • BME · Beta-mercaptoethanol

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