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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