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Ligand · L31

L31 · 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol

L31, 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol (C20 H20 N2 O2, 320.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
L31
Formula
C20 H20 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

L31 in 2 structures; the first of them:

  • 3K3B · Co-crystal structure of the human kinesin Eg5 with a novel tetrahydro-beta-carboline · L31 A371 · binds GLU116, GLY117, GLU118, ARG119, TRP127, ASP130, LEU132, ALA133 and 9 more
  • 3K3B · Co-crystal structure of the human kinesin EG5 with a novel tetrahydro- beta-carboline · L31 A371 · binds GLU116, GLY117, GLU118, ARG119, TRP127, ASP130, LEU132, ALA133 and 9 more

Residues it binds most

GLU 4, LEU 4, ALA 4, ARG 4, ASP 4, GLY 4, ILE 4, PHE 4, PRO 4, TRP 4 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion
  • CL · Chloride ion
  • NO3 · Nitrate ion
  • PEG · Di(hydroxyethyl)ether

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