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Ligand · 0T1

0T1 · [[(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-(propylamino)propyl]amino]butyl] hydrogen phosphate

0T1, [[(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-(propylamino)propyl]amino]butyl] hydrogen phosphate (C22 H38…

Component
0T1
Formula
C22 H38 N7 O16 P3
Class
ligand
Structures
6
PDB entries
3

Binding sites

0T1 in 6 structures; the first of them:

  • 5DW5 · Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to the CoA analogue… · 0T1 A603 · binds PHE92, GLN267, GLY269, VAL270, GLU294, ASN361, GLY362, MET363 and 16 more
  • 5DW6 · Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to acetate and the CoA analogue… · 0T1 A602 · binds PHE92, GLN267, GLU294, ASN361, GLY362, MET363, ILE364, GLU365 and 15 more
  • 5E5H · Succinyl-CoA:acetate CoA-transferase (AarCH6) bound to acetate and degradation products… · 0T1 A603 · binds PHE92, GLN267, GLY269, GLU294, ASN361, GLY362, MET363, ILE364 and 15 more
  • 5DW5 · Succinyl-COA:ACETATE CoA-transferase (AARCH6) bound to the CoA analogue… · 0T1 A603 · binds PHE92, GLN267, GLY269, VAL270, GLU294, ASN361, GLY362, MET363 and 16 more
  • 5DW6 · Succinyl-COA:ACETATE CoA-transferase (AARCH6) bound to acetate and the CoA analogue… · 0T1 A602 · binds PHE92, GLN267, GLU294, ASN361, GLY362, MET363, ILE364, GLU365 and 15 more
  • 5E5H · Succinyl-COA:ACETATE CoA-transferase (AARCH6) bound to acetate and degradation products… · 0T1 A603 · binds PHE92, GLN267, GLY269, GLU294, ASN361, GLY362, MET363, ILE364 and 15 more

Residues it binds most

GLY 12, ILE 12, ASN 12, VAL 12, ALA 12, GLU 12, MET 12, SER 12, PHE 12, GLN 12 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • IMD · Imidazole
  • CL · Chloride ion
  • ACE · Acetyl group
  • FMT · Formic acid

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