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Ligand · A3V

A3V · (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol

A3V, (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol (C16 H25 N O2, 263.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
A3V
Formula
C16 H25 N O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

A3V in 6 structures; the first of them:

  • 4RSC · Crystal structure of RPE65 in complex with emixustat and palmitate · A3V A603 · binds PHE61, PHE103, THR129, VAL134, THR147, GLU148, THR149, ASN175 and 9 more
  • 4RYX · Crystal structure of RPE65 in complex with emixustat and palmitate, P6522 crystal form · A3V A603 · binds PHE61, PHE103, THR129, VAL134, THR147, GLU148, THR149, TYR239 and 6 more
  • 4RYY · Crystal structure of RPE65 in complex with R-emixustat and palmitate · A3V A603 · binds PHE61, PHE103, THR129, VAL134, THR147, GLU148, THR149, ASN175 and 8 more
  • 4RSC · Crystal structure of RPE65 in complex with emixustat and palmitate · A3V A603 · binds PHE61, PHE103, THR129, VAL134, THR147, GLU148, THR149, ASN175 and 9 more
  • 4RYX · Crystal structure of RPE65 in complex with emixustat and palmitate, P6522 crystal form · A3V A603 · binds PHE61, PHE103, THR129, VAL134, THR147, GLU148, THR149, TYR239 and 6 more
  • 4RYY · Crystal structure of RPE65 in complex with R-emixustat and palmitate · A3V A603 · binds PHE61, PHE103, THR129, VAL134, THR147, GLU148, THR149, ASN175 and 8 more

Residues it binds most

PHE 10, THR 10, TYR 10, ASN 8, GLU 10, HIS 10, ILE 10, VAL 10, GLY 6 (residue and the binding sites it lines).

Found with

  • PLM · Palmitic acid
  • FE2 · Fe (II) ion
  • SO4 · Sulfate ion
  • MPD · (4S)-2-methyl-2,4-pentanediol
  • ACE · Acetyl group

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