Ligand · I9F

I9F · Dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate

I9F, Dimethyl (2R)-2-hydroxy-2-{2-[4-(3-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonyl)piperazin-1-yl]-2-oxoethyl}butanedioate (C26 H26 N2 O11 S, 574.6 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component: I9F
Formula: C26 H26 N2 O11 S
Class: ligand
Structures: 1
PDB entries: 1

Binding sites

I9F in 1 structure; the first of them:

5SCI · Structure of liver pyruvate kinase in complex with anthraquinone derivative 105 · I9F C605 · binds THR62, PRO65, ARG85, ASN87, HIS90, GLY91, TYR95, HIS96 and 5 more

Residues it binds most

GLY 4, HIS 4, ALA 4, ASN 4, LYS 4, PRO 4, SER 4, THR 4, TYR 4, ARG 2 (residue and the binding sites it lines).

Found with

FBP · 1,6-di-O-phosphono-beta-D-fructofuranose
OXL · Oxalate ion
K · Potassium ion
MG · Magnesium ion

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