Ligand · S55
S55 · Methyl (2S,3R,4S)-3-ethyl-2-(beta-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate
S55, Methyl (2S,3R,4S)-3-ethyl-2-(beta-D-glucopyranosyloxy)-4-[(1S)-2,3,4,9-tetrahydro-1H-beta-carbolin-1-ylmethyl]-3,4-dihydro-2H-pyran-5-carboxylate (C27 H36 N2 O9, 532.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records…
- Component
- S55
- Formula
- C27 H36 N2 O9
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
S55 in 4 structures; the first of them:
- 2JF6 · Structure of inactive mutant of Strictosidine Glucosidase in complex with strictosidine · S55 A1509 · binds GLN57, HIS161, TRP162, ASN206, GLU207, THR210, PHE221, ASN273 and 13 more
- 2V91 · Structure of strictosidine synthase in complex with strictosidine · S55 A1334 · binds TYR105, TRP149, TYR151, VAL167, ASP173, VAL176, VAL208, PRO209 and 16 more
- 2JF6 · Structure of inactive mutant of strictosidine glucosidase in complex with strictosidine · S55 A1509 · binds GLN57, HIS161, TRP162, ASN206, GLU207, THR210, PHE221, ASN273 and 13 more
- 2V91 · Structure of strictosidine synthase in complex with strictosidine · S55 A1334 · binds TYR105, TRP149, TYR151, VAL167, ASP173, VAL176, VAL208, PRO209 and 16 more
Residues it binds most
GLU 8, TRP 8, VAL 8, GLY 8, PHE 8, TYR 8, ASN 4, MET 8, HIS 8, LEU 8 (residue and the binding sites it lines).
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