GL1X · GenesisL1 explorer

Ligand · PS7

PS7 · {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate

PS7, {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate (C30 H52 O7 P2, 586.7 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
PS7
Formula
C30 H52 O7 P2
Class
ligand
Structures
14
PDB entries
7

Binding sites

PS7 in 14 structures; the first of them:

  • 3ADZ · Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus… · PS7 A1001 · binds MET15, HIS18, SER19, PHE22, PHE26, VAL37, ILE40, TYR41 and 21 more
  • 3LGZ · Crystal structure of dehydrosqualene synthase Y129A from S. aureus complexed with… · PS7 B288 · binds MET15, HIS18, SER19, PHE22, PHE26, ILE40, TYR41, CYS44 and 20 more
  • 3NPR · Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus… · PS7 A1001 · binds MET15, HIS18, SER19, SER21, PHE22, PHE26, VAL37, ILE40 and 22 more
  • 3WEH · Crystal structure of the human squalene synthase in complex with presqualene pyrophosphate · PS7 A403 · binds SER51, ARG52, SER53, PHE54, ILE58, VAL69, PHE72, TYR73 and 21 more
  • 3WEI · Crystal structure of the human squalene synthase Y73A mutant in complex with presqualene… · PS7 A404 · binds SER51, PHE54, ILE58, PHE72, ALA73, LEU76, ARG77, ASP80 and 19 more
  • 3WEJ · Crystal structure of the human squalene synthase F288A mutant in complex with presqualene… · PS7 A403 · binds THR50, SER51, ARG52, SER53, PHE54, VAL57, ILE58, VAL69 and 20 more
  • 3WEK · Crystal structure of the human squalene synthase F288L mutant in complex with presqualene… · PS7 A402 · binds THR50, SER51, ARG52, SER53, PHE54, ILE58, VAL69, PHE72 and 19 more
  • 3ADZ · Crystal structure of the C(30) carotenoid dehydrosqualene synthase from staphylococcus… · PS7 A1001 · binds MET15, HIS18, SER19, PHE22, PHE26, VAL37, ILE40, TYR41 and 21 more
  • 3LGZ · Crystal structure of dehydrosqualene synthase Y129A from S. aureus complexed with… · PS7 B288 · binds MET15, HIS18, SER19, PHE22, PHE26, ILE40, TYR41, CYS44 and 20 more
  • 3NPR · Crystal structure of the C(30) carotenoid dehydrosqualene synthase from S. aureus… · PS7 A1001 · binds MET15, HIS18, SER19, SER21, PHE22, PHE26, VAL37, ILE40 and 22 more
  • 3WEH · Crystal structure of the human squalene synthase in complex with presqualene pyrophosphate · PS7 A403 · binds SER51, ARG52, SER53, PHE54, ILE58, VAL69, PHE72, TYR73 and 21 more
  • 3WEI · Crystal structure of the human squalene synthase Y73A mutant in complex with presqualene… · PS7 A404 · binds SER51, PHE54, ILE58, PHE72, ALA73, LEU76, ARG77, ASP80 and 19 more
  • 3WEJ · Crystal structure of the human squalene synthase F288A mutant in complex with presqualene… · PS7 A403 · binds THR50, SER51, ARG52, SER53, PHE54, VAL57, ILE58, VAL69 and 20 more
  • 3WEK · Crystal structure of the human squalene synthase F288L mutant in complex with presqualene… · PS7 A402 · binds THR50, SER51, ARG52, SER53, PHE54, ILE58, VAL69, PHE72 and 19 more

Residues it binds most

LEU 14, VAL 14, PHE 14, ALA 14, ARG 14, SER 14, GLY 14, TYR 14, MET 14, ILE 14 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • MN · Manganese (II) ion

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