GL1X · GenesisL1 explorer

Ligand · CA8

CA8 · [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate

CA8, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen…

Component
CA8
Formula
C29 H44 N7 O18 P3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

CA8 in 2 structures; the first of them:

  • 4EM4 · Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor Pethyl-VS-CoA · CA8 A508 · binds VAL10, ALA11, ALA14, THR15, SER18, GLN19, ARG22, SER39 and 19 more
  • 4EM4 · Crystal structure of staphylococcus aureus bound with the covalent inhibitor pethyl-vs-CoA · CA8 A508 · binds VAL10, ALA11, ALA14, THR15, SER18, GLN19, ARG22, SER39 and 19 more

Residues it binds most

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

Found with

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

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