GL1X · GenesisL1 explorer

Ligand · 5IA

5IA · 2-{[(2S)-6-[(Z)-(1-{[(2R,3R,4R,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxy-2-sulfanyloxolan-3-yl]oxy}tetradecylidene)amino]-2-{[(benzyloxy)carbonyl]amino}hexanoyl]amino}-N,N,N-triethylethan-1-aminium (non-preferred name)

5IA, 2-{[(2S)-6-[(Z)-(1-{[(2R,3R,4R,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-4-hydroxy-2-sulfanyloxolan-3-yl]oxy}tetradecylidene)am…

Component
5IA
Formula
C51 H86 N9 O16 P2 S +1
Class
ligand
Structures
1
PDB entries
1

Binding sites

5IA in 1 structure; the first of them:

  • 9CBT · Crystal structure of human sirtuin 3 fragment (residues 118-399) bound to intermediates… · 5IA A402 · binds GLY145, ALA146, GLY147, THR150, PRO151, ILE154, ASP156, PHE157 and 40 more

Residues it binds most

PHE 1, GLY 1, ASP 1, LEU 1, VAL 1, GLU 1, ILE 1, PRO 1, THR 1, ARG 1 (residue and the binding sites it lines).

Found with

  • 5I7 · (phenylmethyl) ~{N}-[(2~{S})-6-[[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-6-oxidanyl-2-tridecyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]amino]-1-oxidanylidene-1-[2-(triethyl-$l^{4}-azanyl)ethylamino]hexan-2-yl]carbamate
  • ZN · Zinc ion
  • PG4 · Tetraethylene glycol

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