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Ligand · N6C

N6C · 1-nitrohexane

N6C, 1-nitrohexane (C6 H13 N O2, 131.2 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
N6C
Formula
C6 H13 N O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

N6C in 4 structures; the first of them:

  • 3D9D · Nitroalkane oxidase: mutant D402N crystallized with 1-nitrohexane · N6C A600 · binds ILE92, VAL95, ALA96, LEU99, PHE273, SER276, VAL280, MET283 and 2 more
  • 3D9F · Nitroalkane oxidase: active site mutant S276A crystallized with 1-nitrohexane · N6C A600 · binds VAL95, ALA96, LEU99, PHE273, ALA276, VAL280, MET283, PHE401 and 1 more
  • 3D9D · Nitroalkane oxidase: mutant D402N crystallized with 1-nitrohexane · N6C A600 · binds ILE92, VAL95, ALA96, LEU99, PHE273, SER276, VAL280, MET283 and 2 more
  • 3D9F · Nitroalkane oxidase: active site mutant S276A crystallized with 1- nitrohexane · N6C A600 · binds VAL95, ALA96, LEU99, PHE273, ALA276, VAL280, MET283, PHE401 and 1 more

Residues it binds most

PHE 16, VAL 16, ALA 16, LEU 16, MET 16, SER 8, ASN 8, ASP 8, ILE 6 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • GOL · Glycerol

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