Ligand · 5I7

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

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-tri…

Component: 5I7
Formula: C51 H86 N9 O16 P2 S +1
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

5I7 in 1 structure; the first of them:

9CBT · Crystal structure of human sirtuin 3 fragment (residues 118-399) bound to intermediates… · 5I7 B403 · binds LEU182, PHE186, THR257, LYS288, GLU296, GLY145, ALA146, GLY147 and 41 more

Residues it binds most

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

Found with

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)
ZN · Zinc ion
PG4 · Tetraethylene glycol

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