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Ligand · MNN

MNN · (S)-mandelic acid nitrile

MNN, (S)-mandelic acid nitrile (C8 H7 N O, 133.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 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
MNN
Formula
C8 H7 N O
Class
ligand
Structures
2
PDB entries
2

Binding sites

MNN in 2 structures; the first of them:

  • 6COE · Athnl enantioselectivity mutant at-A9-H7 apo Y13C,Y121L,P126F,L128W, C131T,F179L,A209I… · MNN A306 · binds ASN12, SER81, PHE107, LEU122, MET123, TRP129, LEU179, ILE210 and 1 more
  • 6COI · Athnl enantioselectivity mutant at-A9-H7 apo, Y13C,Y121L,P126F,L128W, C131T,A209I with… · MNN B303 · binds ASN12, ALA13, SER81, PHE82, MET149, PHE153, LEU158, PHE179 and 1 more

Residues it binds most

PHE 3, LEU 3, ASN 3, HIS 3, MET 3, SER 3, ALA 2, ILE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • HBX · benzaldehyde
  • MXN · (2R)-hydroxy(phenyl)ethanenitrile
  • GOL · Glycerol
  • CL · Chloride ion
  • CYN · Cyanide ion

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