GL1X · GenesisL1 explorer

Ligand · CAJ

CAJ · ethyl 5-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate

CAJ, ethyl 5-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate (C26 H44 N7 O18…

Component
CAJ
Formula
C26 H44 N7 O18 P3
Class
ligand
Structures
2
PDB entries
1

Binding sites

CAJ in 2 structures; the first of them:

  • 4EMW · Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor EtVC-CoA · CAJ A503 · binds VAL10, ALA11, ALA14, THR15, SER18, GLN19, ARG22, SER39 and 18 more
  • 4EMW · Crystal structure of staphylococcus aureus bound with the covalent inhibitor etvc-CoA · CAJ A503 · binds VAL10, ALA11, ALA14, THR15, SER18, GLN19, ARG22, SER39 and 18 more

Residues it binds most

ALA 4, TYR 4, LYS 4, SER 4, PHE 4, ARG 4, ASN 4, CYS 4, GLN 4, HIS 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • MG · Magnesium ion
  • CL · Chloride ion

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