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Ligand · JPI

JPI · (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol

JPI, (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol (C40 H80 O3, 609.1 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3…

Component
JPI
Formula
C40 H80 O3
Class
ligand
Structures
3
PDB entries
3

Binding sites

JPI in 3 structures; the first of them:

  • 7ZGY · S-layer Deinoxanthin Binding Complex, C3 symmetry · JPI A1201 · binds PRO494, VAL527, ASP528, GLY529, VAL532, PRO540, GLN541, ILE542 and 15 more
  • 8ACQ · S-layer Deinoxanthin-Binding Complex (SDBC), subunit DR_2577 assembled with its SOD… · JPI A1201 · binds PRO494, VAL527, ASP528, GLY529, VAL532, PRO540, GLN541, ILE542 and 16 more
  • 8AGD · Full SDBC and SOD assembly · JPI A1201 · binds PRO494, VAL527, ASP528, GLY529, VAL532, PRO540, GLN541, ILE542 and 16 more

Residues it binds most

LEU 9, ALA 9, ILE 9, ASP 9, GLN 9, GLY 9, PRO 9, VAL 9, GLU 9, PHE 9 (residue and the binding sites it lines).

Found with

  • JPX · [(2~{S})-3-[[(2~{S})-3-[(2~{S},3~{S},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(propanoylamino)oxan-2-yl]oxy-1-oxidanylidene-1-(pentadecylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-2-octanoyloxy-propyl] decanoate
  • JQ6 · [(2~{S})-2-acetyloxy-3-[[(2~{S})-3-[(2~{R},3~{S},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3-(octadecanoylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-oxidanylidene-1-(pentylamino)propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propyl] ethanoate
  • CU · Copper (II) ion
  • FE · Fe (III) ion

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