GL1X · GenesisL1 explorer

Ligand · VL5

VL5 · (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid

VL5, (2S)-2-[(Z)-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2S)-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxy-3-[4-[N-[(3R)-piperidin-3-yl]carbamimidoyl]phenoxy]propanoic acid (C25 H34 N8 O10 S2…

Component
VL5
Formula
C25 H34 N8 O10 S2
Class
ligand
Structures
4
PDB entries
3

Binding sites

VL5 in 4 structures; the first of them:

  • 7ONK · Crystal structure of PBP3 from P. aeruginosa in complex with AIC499 · VL5 A601 · binds GLU291, GLY293, SER294, LYS297, VAL333, SER349, ASN351, TYR407 and 14 more
  • 7ONK · Crystal structure of PBP3 from P. aeruginosa in complex with AIC499 · VL5 A601 · binds GLU291, GLY293, SER294, VAL333, SER349, ASN351, GLY408, TYR409 and 10 more
  • 7ONN · Crystal structure of PBP3 transpeptidase domain from E. COLI in complex with AIC499 · VL5 A601 · binds GLU304, GLY306, SER307, LYS310, VAL344, SER359, ASN361, PHE417 and 11 more
  • 7ONW · Crystal structure of PBP3 from E. COLI in complex with AIC499 · VL5 A601 · binds GLU304, GLY306, SER307, LYS310, VAL344, SER359, ASN361, PHE417 and 10 more

Residues it binds most

GLY 6, TYR 6, SER 6, LYS 6, THR 6, VAL 6, ALA 6, ASN 6, GLU 6, PHE 6 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol
  • PO4 · Phosphate ion
  • 12P · Dodecaethylene glycol
  • MPD · (4S)-2-methyl-2,4-pentanediol

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