GL1X · GenesisL1 explorer

Ligand · 8J9

8J9 · (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid

8J9, (2~{S})-2-[[(2~{S})-1-[[(2~{S})-3-(4-hydroxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]amino]-4-phenyl-butanoic acid (C25 H32 N2 O6, 456.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4…

Component
8J9
Formula
C25 H32 N2 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

8J9 in 4 structures; the first of them:

  • 7Q25 · Crystal structure of Angiotensin-1 converting enzyme N-domain in complex with dual… · 8J9 A701 · binds GLN259, HIS331, ALA332, SER333, THR358, HIS361, GLU362, HIS365 and 10 more
  • 7Q28 · Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual… · 8J9 A703 · binds GLN281, HIS353, ALA354, SER355, VAL380, HIS383, GLU384, HIS387 and 10 more
  • 7Q25 · Crystal structure of angiotensin-1 converting enzyme N-domain in complex with dual… · 8J9 A701 · binds GLN259, HIS331, ALA332, SER333, THR358, HIS361, GLU362, HIS365 and 10 more
  • 7Q28 · Crystal structure of angiotensin-1 converting enzyme C-domain in complex with dual… · 8J9 A703 · binds GLN281, HIS353, ALA354, SER355, VAL380, HIS383, GLU384, HIS387 and 10 more

Residues it binds most

HIS 6, PHE 6, GLU 6, TYR 6, THR 4, ALA 6, ASP 6, GLN 6, LYS 6, SER 6 (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
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • MG · Magnesium ion
  • MAN · alpha-D-mannopyranose
  • BO3 · Boric acid
  • 1PE · Pentaethylene glycol
  • ACT · Acetate ion

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