GL1X · GenesisL1 explorer

Ligand · AB8

AB8 · (1s,3r,8as)-8-(2-{(4S,6S)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3 ,7-dimethyl-1,2,3,7,8,8A-hexahydronaphthalen-1-yl (2R)-2-methylbutanoate

AB8, (1s,3r,8as)-8-(2-{(4S,6S)-3-(4-hydroxy-3-methoxybenzyl)-4-[2-(methylamino)-2-oxoethyl]-2-oxo-1,3-oxazinan-6-yl}ethyl)-3 ,7-dimethyl-1,2,3,7,8,8A-hexahydronaphthalen-1-yl (2R)-2-methylbutanoate (C34 H48 N2 O7, 596.8 g/mol), in the…

Component
AB8
Formula
C34 H48 N2 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

AB8 in 2 structures; the first of them:

  • 1XDG · X-ray structure of LFA-1 I-domain in complex with LFA878 at 2.1A resolution · AB8 A401 · binds LEU132, PHE153, VAL157, LEU161, VAL233, ILE235, ILE255, TYR257 and 9 more
  • 1XDG · X-ray structure of lfa-1 I-domain in complex with LFA878 at 2.1A resolution · AB8 A401 · binds LEU132, PHE153, VAL157, LEU161, VAL233, ILE235, ILE255, TYR257 and 9 more

Residues it binds most

ILE 4, LEU 4, VAL 4, GLU 4, LYS 4, PHE 4, TYR 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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