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Ligand · 3BY

3BY · 1-methyl-L-proline

3BY, 1-methyl-L-proline (C6 H11 N O2, 129.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
3BY
Formula
C6 H11 N O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

3BY in 4 structures; the first of them:

  • 4QUP · Crystal structure of stachydrine demethylase with N-methyl proline from low X-ray dose… · 3BY A503 · binds ASN198, ASN199, GLU201, CYS202, HIS204, CYS205, HIS209, LEU212 and 6 more
  • 4QUR · Crystal Structure of stachydrine demethylase in complex with cyanide, oxygen, and… · 3BY A505 · binds ASN199, GLU201, CYS202, CYS205, LEU212, PHE216, ALA223, LEU297 and 3 more
  • 4QUP · Crystal structure of stachydrine demethylase with N-methyl proline from low X-ray dose… · 3BY A503 · binds ASN198, ASN199, GLU201, CYS202, HIS204, CYS205, HIS209, LEU212 and 6 more
  • 4QUR · Crystal structure of stachydrine demethylase in complex with cyanide, oxygen, and… · 3BY A505 · binds ASN199, GLU201, CYS202, CYS205, LEU212, PHE216, ALA223, LEU297 and 3 more

Residues it binds most

CYS 4, HIS 4, ASN 4, LEU 4, TRP 4, ALA 4, GLU 4, PHE 4, ASP 2, THR 2 (residue and the binding sites it lines).

Found with

  • FES · Fe2/s2 (inorganic) cluster
  • NCO · Cobalt hexammine(iii)
  • FE · Fe (III) ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • CYN · Cyanide ion
  • OXY · Oxygen molecule
  • GOL · Glycerol

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