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Ligand · Y16

Y16 · (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide

Y16, (E,2R,3R,4S,5R)-N-(2-azanyl-2-oxidanylidene-ethyl)-2-methoxy-8,8-dimethyl-3,4,5-tris(oxidanyl)non-6-enamide (C14 H26 N2 O6, 318.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site…

Component
Y16
Formula
C14 H26 N2 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

Y16 in 4 structures; the first of them:

  • 3PKB · M. tuberculosis MetAP with bengamide analog Y16, in Mn form · Y16 A286 · binds THR94, TYR97, PHE100, CYS105, CYS113, HIS114, ASP131, THR133 and 12 more
  • 4FLI · Human MetAP1 with bengamide analog Y16, in Mn form · Y16 A503 · binds PRO192, TYR195, PHE198, CYS203, CYS211, HIS212, ASP229, THR231 and 12 more
  • 3PKB · M. tuberculosis metap with bengamide analog Y16, in mn form · Y16 A286 · binds THR94, TYR97, PHE100, CYS105, CYS113, HIS114, ASP131, THR133 and 12 more
  • 4FLI · Human METAP1 with bengamide analog Y16, in mn form · Y16 A503 · binds PRO192, TYR195, PHE198, CYS203, CYS211, HIS212, ASP229, THR231 and 12 more

Residues it binds most

HIS 4, ASP 4, CYS 4, PHE 4, GLU 4, THR 4, TYR 4, GLN 4, MET 4, TRP 4 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • NA · Sodium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion

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