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Ligand · AY1

AY1 · [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate

AY1, [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-oxidanyl-phenyl)carbonylamino]-8-hexyl-2,6-dimethyl-4,9-bis(oxidanylidene)-1,5-dioxonan-7-yl] 2-methylpropanoate (C27 H38 N2 O9, 534.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
AY1
Formula
C27 H38 N2 O9
Class
ligand
Structures
2
PDB entries
1

Binding sites

AY1 in 2 structures; the first of them:

  • 1NTK · Crystal Structure of Mitochondrial Cytochrome bc1 in Complex with Antimycin A1 · AY1 C383 · binds ALA17, PHE18, ILE27, TRP31, ASN32, GLY34, SER35, GLY38 and 10 more
  • 1NTK · Crystal structure of mitochondrial cytochrome BC1 in complex with antimycin A1 · AY1 C383 · binds ALA17, PHE18, ILE27, TRP31, ASN32, GLY34, SER35, GLY38 and 10 more

Residues it binds most

ALA 2, GLY 2, ILE 2, MET 2, PHE 2, SER 2, ASN 2, ASP 2, LEU 2, LYS 2 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • HEM · Protoporphyrin IX containing Fe

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