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Ligand · 58A

58A · 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9e)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy) phosphoryl]cytidine

58A, 5'-O-[(R)-{[(S)-{(2R)-2,3-bis[(9e)-octadec-9-enoyloxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy) phosphoryl]cytidine (C48 H85 N3 O15 P2, 1006.2 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (5 PDB entries). Every…

Component
58A
Formula
C48 H85 N3 O15 P2
Class
ligand
Structures
9
PDB entries
5

Binding sites

58A in 9 structures; the first of them:

  • 7B1K · Crystal structure of phosphatidyl serine synthase (PSS) in the closed conformation with… · 58A A301 · binds SER11, ASP12, THR15, ASP41, SER42, ASP44, GLY45, TYR46 and 26 more
  • 7B1L · Crystal structure of phosphatidyl serine synthase (PSS) in the closed conformation with… · 58A A301 · binds SER11, ASP12, THR15, LEU36, ILE38, ILE39, ASP41, SER42 and 20 more
  • 7DRK · Crystal structure of phosphatidylglycerol phosphate synthase in complex with cytidine… · 58A A203 · binds PRO4, ASN5, THR8, PHE33, LEU34, ILE51, SER54, LEU55 and 24 more
  • 7POW · Crystal structure of phosphatidyl serine synthase (PSS) in transition state. · 58A B301 · binds SER11, ASP12, THR15, LEU36, ILE39, ASP41, SER42, ASP44 and 27 more
  • 7B1K · Crystal structure of phosphatidyl serine synthase (pss) in the closed conformation with… · 58A A301 · binds SER11, ASP12, THR15, ASP41, SER42, ASP44, GLY45, TYR46 and 21 more
  • 7B1L · Crystal structure of phosphatidyl serine synthase (pss) in the closed conformation with… · 58A A301 · binds SER11, ASP12, THR15, LEU36, ILE38, ASP41, SER42, ASP44 and 19 more
  • 7B1N · Crystal structure of phosphatidyl serine synthase (pss) in the closed conformation with… · 58A A301 · binds SER11, ASP12, THR15, ASP41, SER42, ASP44, GLY45, TYR46 and 21 more
  • 7DRK · Crystal structure of phosphatidylglycerol phosphate synthase in complex with cytidine… · 58A A203 · binds PRO4, ASN5, THR8, ILE51, SER54, LEU55, ASP57, PHE58 and 15 more
  • 7POW · Crystal structure of phosphatidyl serine synthase (pss) in transition state. · 58A B301 · binds SER11, ASP12, THR15, LEU36, ILE39, ASP41, SER42, ASP44 and 25 more

Residues it binds most

ASP 16, SER 16, ALA 16, PHE 16, PRO 16, ILE 16, THR 16, GLY 16, LEU 16, TYR 12 (residue and the binding sites it lines).

Found with

  • OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate
  • CA · Calcium ion
  • CL · Chloride ion
  • MG · Magnesium ion
  • NA · Sodium ion
  • G3P · Sn-glycerol-3-phosphate
  • SMW · (2S)-2-amino-3-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propoxy]-dihydroxy-lambda^5-phosphanyl]oxy-propanoic acid
  • ZN · Zinc ion
  • ACY · Acetic acid
  • BU1 · 1,4-butanediol
  • FLC · Citrate anion
  • SER · Serine

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