Ligand · UIO

UIO · (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol

UIO, (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol (C26 H38 N6 O7, 546.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component: UIO
Formula: C26 H38 N6 O7
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

UIO in 1 structure; the first of them:

8E4K · Co-crystal structure of Chaetomium glucosidase with compound 7 · UIO A901 · binds PRO412, PHE416, PHE417, ARG419, PHE421, TRP423, ASP424, LYS470 and 9 more

Residues it binds most

PHE 2, TRP 2, ASP 2, GLU 2, PRO 2, ARG 2, GLY 2, LYS 2, TYR 2, SER 1 (residue and the binding sites it lines).

Found with

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
SO4 · Sulfate ion
BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol
GOL · Glycerol

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