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Ligand · GEK

GEK · (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate

GEK, (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate (C16 H22 N6 O7 S, 442.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (5…

Component
GEK
Formula
C16 H22 N6 O7 S
Class
ligand
Structures
10
PDB entries
5

Binding sites

GEK in 10 structures; the first of them:

  • 4GEK · Crystal Structure of wild-type CmoA from E.coli · GEK A302 · binds PHE20, PHE28, ILE32, TYR39, ILE43, ASP62, GLY64, CYS65 and 19 more
  • 4IWN · Crystal structure of a putative methyltransferase CmoA in complex with a novel SAM… · GEK A301 · binds PHE28, ILE32, TYR39, ILE43, ASP62, GLY64, CYS65, SER66 and 17 more
  • 4QNU · Crystal structure of CmoB bound with Cx-SAM in P21212 · GEK A401 · binds LYS91, TRP105, LYS110, VAL129, GLY130, CYS131, GLY132, HIS136 and 16 more
  • 4QNV · Crystal structure of Cx-SAM bound CmoB from E. coli in P6122 · GEK A402 · binds LYS91, TRP105, LYS110, VAL129, GLY130, CYS131, GLY132, HIS136 and 16 more
  • 7CTA · Crystal structure of Cx-SAM bound CmoB from Vibrio vulnificus · GEK A401 · binds LYS91, TRP105, SER107, LYS110, ASP128, VAL129, GLY130, CYS131 and 17 more
  • 4GEK · Crystal structure of wild-type cmoa from E.COLI · GEK A302 · binds PHE20, PHE28, ILE32, TYR39, ILE43, ASP62, GLY64, CYS65 and 19 more
  • 4IWN · Crystal structure of a putative methyltransferase cmoa in complex with a novel SAM… · GEK A301 · binds PHE28, ILE32, TYR39, ILE43, ASP62, GLY64, CYS65, SER66 and 17 more
  • 4QNU · Crystal structure of cmob bound with cx-SAM in P21212 · GEK A401 · binds LYS91, TRP105, LYS110, VAL129, GLY130, CYS131, GLY132, HIS136 and 16 more
  • 4QNV · Crystal structure of cx-SAM bound cmob from E. COLI in P6122 · GEK A402 · binds LYS91, TRP105, LYS110, VAL129, GLY130, CYS131, GLY132, HIS136 and 16 more
  • 7CTA · Crystal structure of cx-SAM bound cmob from vibrio vulnificus · GEK A401 · binds LYS91, TRP105, SER107, LYS110, ASP128, VAL129, GLY130, CYS131 and 17 more

Residues it binds most

GLY 32, ILE 32, ARG 32, ASP 32, PHE 32, LYS 24, VAL 24, GLU 24, MET 32, CYS 32 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • SO4 · Sulfate ion
  • MPD · (4S)-2-methyl-2,4-pentanediol

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