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Ligand · 8JV

8JV · (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

8JV, (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid (C24 H28 N2 O5, 424.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB…

Component
8JV
Formula
C24 H28 N2 O5
Class
ligand
Structures
3
PDB entries
2

Binding sites

8JV in 3 structures; the first of them:

  • 7Q29 · Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual… · 8JV A707 · binds GLN281, HIS353, ALA354, SER355, GLU376, VAL379, VAL380, HIS383 and 10 more
  • 7Q26 · Crystal structure of angiotensin-1 converting enzyme N-domain in complex with dual… · 8JV A701 · binds GLN259, HIS331, ALA332, SER333, ASP354, SER357, THR358, HIS361 and 10 more
  • 7Q29 · Crystal structure of angiotensin-1 converting enzyme C-domain in complex with dual… · 8JV A707 · binds GLN281, HIS353, ALA354, SER355, GLU376, VAL379, VAL380, HIS383 and 10 more

Residues it binds most

HIS 4, GLU 4, PHE 4, TYR 4, SER 4, VAL 2, ALA 4, GLN 4, LYS 4, THR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • 1PE · Pentaethylene glycol
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • MAN · alpha-D-mannopyranose
  • BO3 · Boric acid
  • IMD · Imidazole
  • MG · Magnesium ion

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