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Ligand · CYI

CYI · Cyclohexyl isocyanide

CYI, Cyclohexyl isocyanide (C7 H11 N, 109.2 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
CYI
Formula
C7 H11 N
Class
ligand
Structures
4
PDB entries
2

Binding sites

CYI in 4 structures; the first of them:

  • 2CZ6 · Complex of Inactive Fe-type NHase with Cyclohexyl isocyanide · CYI B1302 · binds GLN90, CSD112, CSO114, TRP117, PRO36, TYR37, MET40, VAL52 and 4 more
  • 2D0Q · Complex of Fe-type NHase with Cyclohexyl isocyanide, photo-activated for 1hr at 277K · CYI A1301 · binds GLN90, CYS109, CSD112, SER113, CYS114, TRP117, TYR37, VAL52 and 3 more
  • 2CZ6 · Complex of inactive fe-type nhase with cyclohexyl isocyanide · CYI B1302 · binds GLN90, CSD112, CSO114, TRP117, PRO36, TYR37, MET40, VAL52 and 4 more
  • 2D0Q · Complex of fe-type nhase with cyclohexyl isocyanide, photo- activated for 1HR at 277K · CYI A1301 · binds GLN90, CYS109, CSD112, SER113, CYS114, TRP117, TYR37, VAL52 and 3 more

Residues it binds most

TYR 4, VAL 4, ARG 4, CSD 4, CYS 2, GLN 4, TRP 4, CSO 2, MET 2, PRO 2 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • MG · Magnesium ion
  • NO · Nitric oxide

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