Ligand · A4I

A4I · (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E, 19e,21s,23s,26r,27r,30s,34as)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26, 27,28,29,31,32,33,34,34A-tetracosahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontin-3-yl]propyl}-2-methoxycyclohexyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate

A4I, (1R,2R,4S)-4-{(2R)-2-[(3S,6R,7E,9R,10R,12R,14S,15E,17E, 19e,21s,23s,26r,27r,30s,34as)-9,27-dihydroxy-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-1,5,11,28,29-pentaoxo-1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26…

Component: A4I
Formula: C56 H87 N O16
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

A4I in 2 structures; the first of them:

7SQ9 · Cryo-EM structure of mouse temsirolimus/PI(3,5)P2-bound TRPML1 channel at 2.11 Angstrom… · A4I A602 · binds LEU418, LEU422, VAL425, MET426, CYS429, VAL432, ALA433, TYR436 and 14 more
7SQ9 · Cryo-EM structure of mouse TEMSIROLIMUS/PI(3,5)P2-bound TRPML1 channel at 2.11 ångström… · A4I A602 · binds LEU422, VAL425, MET426, CYS429, VAL432, ALA433, TYR436, LEU437 and 9 more

Residues it binds most

LEU 8, SER 8, TYR 8, VAL 8, MET 8, PHE 8, CYS 8, ALA 8 (residue and the binding sites it lines).

Found with

EUJ · (2R)-3-{[(S)-hydroxy{[(1s,2r,3r,4s,5s,6r)-2,4,6-trihydroxy-3,5-bis(phosphonooxy) cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate
NA · Sodium ion
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.