Ligand · OI1

OI1 · 3-(4-hydroxybenzyl)-2-[1-({[2-(4-hydroxyphenyl)ethyl]amino}carbonyl)butyl]-4-oxo-3,6,11,11A-tetrahydro-4H-pyrazino[1,2-b]isoquinolin-2-ium-1-olate

OI1, 3-(4-hydroxybenzyl)-2-[1-({[2-(4-hydroxyphenyl)ethyl]amino}carbonyl)butyl]-4-oxo-3,6,11,11A-tetrahydro-4H-pyrazino[1,2-b]isoquinolin-2-ium-1-olate (C32 H35 N3 O5, 541.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component: OI1
Formula: C32 H35 N3 O5
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

OI1 in 2 structures; the first of them:

1Q9D · Fructose-1,6-bisphosphatase Complexed with a New Allosteric Site Inhibitor (I-State) · OI1 A416 · binds ASP187, ALA189, ILE190, GLY52, ALA54, HIS55, ILE59
1Q9D · Fructose-1,6-bisphosphatase complexed with a new allosteric site inhibitor (I-state) · OI1 A416 · binds ASP187, ALA189, ILE190, GLY52, ALA54, HIS55, ILE59

Residues it binds most

ALA 4, ILE 4, ASP 4, GLY 4, HIS 4 (residue and the binding sites it lines).

Found with

F6P · 6-O-phosphono-beta-D-fructofuranose
MG · Magnesium ion
PO4 · Phosphate ion

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