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Ligand · 0LU

0LU · (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol

0LU, (2S)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol (C20 H23 N O S, 325.5 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 residues it…

Component
0LU
Formula
C20 H23 N O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

0LU in 2 structures; the first of them:

  • 4GJ8 · Crystal structure of renin in complex with PKF909-724 (compound 3) · 0LU A1001 · binds GLN13, VAL30, ASP32, TYR75, THR77, PRO111, PHE112, LEU114 and 9 more
  • 4GJ8 · Crystal structure of renin in complex with PKF909-724 (compound 3) · 0LU A1001 · binds GLN13, VAL30, ASP32, TYR75, THR77, PRO111, PHE112, LEU114 and 9 more

Residues it binds most

LEU 4, PHE 4, THR 4, TYR 4, ALA 2, PRO 4, VAL 2, ASP 2, GLN 2, GLY 2 (residue and the binding sites it lines).

Found with

  • 0LW · (2R)-1-(pyrrolidin-1-yl)-3-(9H-thioxanthen-9-yl)propan-2-ol
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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