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Ligand · MXN

MXN · (2R)-hydroxy(phenyl)ethanenitrile

MXN, (2R)-hydroxy(phenyl)ethanenitrile (C8 H7 N O, 133.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
MXN
Formula
C8 H7 N O
Class
ligand
Structures
6
PDB entries
6

Binding sites

MXN in 6 structures; the first of them:

  • 5E4B · Hydroxynitrile lyase from the fern Davallia tyermanii in complex with (R)-mandelonitrile… · MXN A202 · binds VAL44, VAL52, ARG69, PHE71, ASP85, SER87, TYR101, ILE103 and 3 more
  • 5Y02 · C-terminal peptide depleted mutant of hydroxynitrile lyase from passiflora edulis (pehnl)… · MXN A201 · binds HIS8, VAL10, TYR30, PHE77, PHE78, ALA83, PHE86, ALA87 and 4 more
  • 6COE · Athnl enantioselectivity mutant at-A9-H7 apo Y13C,Y121L,P126F,L128W, C131T,F179L,A209I… · MXN A307 · binds ASN12, ALA13, CYS14, SER81, PHE82, TRP129, LEU147, MET149 and 3 more
  • 6COH · Athnl enantioselectivity mutant at-A9-H7 apo, Y13C,Y121L,P126F,L128W, C131T,A209I with… · MXN A301 · binds ASN12, ALA13, SER81, PHE82, TRP129, LEU147, MET149, PHE153 and 2 more
  • 6COI · Athnl enantioselectivity mutant at-A9-H7 apo, Y13C,Y121L,P126F,L128W, C131T,A209I with… · MXN B302 · binds ASN12, ALA13, CYS14, SER81, PHE82, TRP129, LEU147, MET149 and 4 more
  • 7BWP · Crystal complex of endo-deglycosylated PCHNL5 with (R)-mandelonitrile · MXN A601 · binds ALA111, ARG301, VAL317, VAL329, LEU331, HIS358, TYR458, TRP459 and 2 more

Residues it binds most

PHE 11, ALA 10, VAL 7, HIS 10, LEU 7, TYR 7, SER 7, TRP 6, ASN 5, MET 5 (residue and the binding sites it lines).

Found with

  • HBX · benzaldehyde
  • GOL · Glycerol
  • MNN · (S)-mandelic acid nitrile
  • FAD · Flavin-adenine dinucleotide
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • CYN · Cyanide ion
  • PO4 · Phosphate ion
  • HEZ · Hexane-1,6-diol
  • PEG · Di(hydroxyethyl)ether

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