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Ligand · BM0

BM0 · 1-butyl-3-methyl-1H-imidazol-3-ium

BM0, 1-butyl-3-methyl-1H-imidazol-3-ium (C8 H15 N2 +1, 139.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
BM0
Formula
C8 H15 N2 +1
Class
ligand
Structures
5
PDB entries
5

Binding sites

BM0 in 5 structures; the first of them:

  • 5CT5 · Wild-type Bacillus subtilis lipase A with 10% [BMIM][Cl] · BM0 A202 · binds ILE12, SER77, MET78, ALA105, LEU108, ILE135, VAL136, LEU140
  • 5CT6 · Wild-type Bacillus subtilis lipase A with 20% [BMIM][Cl] · BM0 A202 · binds GLY11, ILE12, GLY13, GLY14, ASN18, HIS76, SER77, HIS156 and 3 more
  • 5CT9 · G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 5% [BMIM][Cl] · BM0 A202 · binds ARG33, ASP34, LYS35, LEU36, TYR37, PHE58, LYS61, VAL62 and 1 more
  • 5CTA · G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 10% [BMIM][Cl] · BM0 A201 · binds ARG33, ASP34, LYS35, LEU36, TYR37, PHE58, LYS61, VAL62 and 1 more
  • 5CUR · G158E/K44E/R57E/Y49E Bacillus subtilis lipase A with 20% [BMIM][Cl] · BM0 A201 · binds TYR37, PHE58, LYS61, VAL62, GLU65

Residues it binds most

TYR 11, LEU 9, GLY 6, ILE 5, LYS 6, HIS 4, THR 4, ASN 5, ASP 5, ARG 4 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • SO4 · Sulfate ion

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