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Ligand · NPN

NPN · N-propyl isocyanide

NPN, N-propyl isocyanide (C4 H7 N, 69.1 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
NPN
Formula
C4 H7 N
Class
ligand
Structures
6
PDB entries
3

Binding sites

NPN in 6 structures; the first of them:

  • 112M · Sperm whale myoglobin D122N N-propyl isocyanide at pH 9.0 · NPN A156 · binds LEU29, LEU32, PHE33, PHE43, HIS64, VAL68, HIS93, ILE107
  • 2HBF · High resolution X-ray structures of myoglobin-and hemoglobin-alkyl isocyanide complexes · NPN A143 · binds LEU29, MET32, PHE33, PHE43, HIS58, VAL62, HIS87, LEU101
  • 2MYD · High resolution X-ray structures of myoglobin-and hemoglobin-alkyl isocyanide complexes · NPN A155 · binds PHE43, HIS64, THR67, VAL68, HIS93
  • 112M · Sperm whale myoglobin D122N N-propyl isocyanide at pH 9.0 · NPN A156 · binds LEU29, LEU32, PHE33, PHE43, HIS64, VAL68, HIS93, ILE107
  • 2HBF · High resolution X-ray structures of myoglobin-and hemoglobin-alkyl isocyanide complexes · NPN A143 · binds LEU29, MET32, PHE33, PHE43, HIS58, VAL62, HIS87, LEU101
  • 2MYD · High resolution X-ray structures of myoglobin-and hemoglobin-alkyl isocyanide complexes · NPN A155 · binds PHE43, HIS64, THR67, VAL68, HIS93

Residues it binds most

HIS 8, LEU 6, PHE 8, VAL 8, ILE 2, MET 2, THR 2 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion

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