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Ligand · H3X

H3X · Methyl (3'~{A}~{R},4'~{S},5'~{S},5~{A}~{S},6~{S},7~{S}, 9~{A}~{R})-1,1,3'~{A},4',5~{A},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{H}-1-benzofuran]-5'-carboxylate

H3X, Methyl (3'~{A}~{R},4'~{S},5'~{S},5~{A}~{S},6~{S},7~{S}, 9~{A}~{R})-1,1,3'~{A},4',5~{A},7,7'-heptamethyl-3,6'-bis(oxidanylidene)spiro[4,5,7,8,9,9~{a}-hexahydrobenzo[c]oxepine-6,2'-4,5-dihydro-3~{H}-1-benzofuran]-5'-carboxylate (C26 H38…

Component
H3X
Formula
C26 H38 O6
Class
ligand
Structures
6
PDB entries
3

Binding sites

H3X in 6 structures; the first of them:

  • 7DE2 · iron and alpha-ketoglutarate-dependent endoperoxidase NvfI · H3X A302 · binds PHE113, SER114, TYR116, ARG118, ILE126, PHE127, ALA131, THR133 and 12 more
  • 7EMZ · iron and alpha-ketoglutarate-dependent endoperoxidase NvfI W199F variant · H3X A302 · binds PHE113, SER114, TYR116, ARG118, PHE127, ALA131, ARG132, THR133 and 13 more
  • 7ENB · iron and alpha-ketoglutarate-dependent endoperoxidase NvfI with different conformation · H3X A401 · binds PHE113, SER114, TYR116, ARG118, ILE126, PHE127, ALA131, THR133 and 11 more
  • 7DE2 · Iron and alpha-ketoglutarate-dependent endoperoxidase nvfi · H3X A302 · binds SER114, TYR116, ARG118, PHE127, ALA131, HIS135, ASP137, HIS138 and 8 more
  • 7EMZ · Iron and alpha-ketoglutarate-dependent endoperoxidase nvfi W199F variant · H3X A302 · binds SER114, TYR116, ARG118, PHE127, ALA131, ARG132, THR133, HIS135 and 10 more
  • 7ENB · Iron and alpha-ketoglutarate-dependent endoperoxidase nvfi with different conformation · H3X A401 · binds SER114, TYR116, ARG118, ILE126, PHE127, ALA131, HIS135, ASP137 and 9 more

Residues it binds most

ARG 6, ALA 6, HIS 6, PHE 6, PRO 6, THR 6, ASP 6, GLN 6, GLU 6, LEU 6 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • OGA · N-oxalylglycine
  • AKG · 2-oxoglutaric acid

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