GL1X · GenesisL1 explorer

Ligand · CA6

CA6 · [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate

CA6, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen…

Component
CA6
Formula
C24 H42 N7 O18 P3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

CA6 in 2 structures; the first of them:

  • 4EM3 · Crystal Structure of Staphylococcus aureus bound with the covalent inhibitor MeVS-CoA · CA6 A507 · binds VAL10, ALA11, ALA14, THR15, SER18, GLN19, ARG22, SER39 and 18 more
  • 4EM3 · Crystal structure of staphylococcus aureus bound with the covalent inhibitor mevs-CoA · CA6 A507 · binds VAL10, ALA11, ALA14, THR15, SER18, GLN19, ARG22, SER39 and 18 more

Residues it binds most

ALA 4, TYR 4, LYS 4, PHE 4, SER 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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