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Ligand · DG9

DG9 · 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine

DG9, 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine (C27 H48 N9 O12 P S2, 785.8 g/mol), in the MolNFT…

Component
DG9
Formula
C27 H48 N9 O12 P S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

DG9 in 4 structures; the first of them:

  • 4DG9 · Structure of holo-PA1221, an NRPS protein containing adenylation and PCP domains bound to… · DG9 A701 · binds PRO210, PHE213, ASP214, ALA215, TRP256, THR258, LEU261, GLY282 and 23 more
  • 6MG0 · Crystal structure of a 5-domain construct of LgrA in the thiolation state · DG9 A2000 · binds TYR390, SER391, SER392, PHE395, ASP396, GLY397, LYS420, TYR421 and 28 more
  • 4DG9 · Structure of holo-PA1221, an nrps protein containing adenylation and pcp domains bound to… · DG9 A701 · binds PRO210, PHE213, ASP214, ALA215, TRP256, THR258, LEU261, GLY282 and 23 more
  • 6MG0 · Crystal structure of a 5-domain construct of lgra in the thiolation state · DG9 A2000 · binds TYR390, SER391, SER392, PHE395, ASP396, GLY397, LYS420, TYR421 and 28 more

Residues it binds most

GLY 6, TYR 6, ASP 6, ARG 6, PHE 6, SER 6, ILE 6, PRO 6, LYS 6, THR 6 (residue and the binding sites it lines).

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