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Ligand · 4NC

4NC · 4-nitrocatechol

4NC, 4-nitrocatechol (C6 H5 N O4, 155.1 g/mol), in the MolNFT structures on GenesisL1: bound in 13 records (9 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
4NC
Formula
C6 H5 N O4
Class
ligand
Structures
13
PDB entries
9

Binding sites

4NC in 13 structures; the first of them:

  • 4Z6U · Structure of H200E variant of Homoprotocatechuate 2,3-Dioxygenase from B.fuscum in… · 4NC C403 · binds HIS155, ASN157, TRP192, GLU200, HIS214, ARG243, HIS248, GLY249 and 8 more
  • 5CHR · Dehaloperoxidase B in complex with substrate p-nitrocatechol · 4NC A204 · binds PHE21, PHE35, TYR38, PHE52, HIS55, THR56, VAL59, PHE60
  • 6SDN · Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment j82 · 4NC A403 · binds PHE50, ARG51, THR54, THR212, TYR213, PRO216, PHE246, VAL353 and 3 more
  • 6W54 · Crystal Structure of Gallic Acid Decarboxylase from Arxula adeninivorans · 4NC A301 · binds TRP35, ARG39, THR59, THR60, TRP61, PHE70, ILE84, HIS86 and 7 more
  • 6ZE6 · FAD-dependent oxidoreductase from Chaetomium thermophilum in complex with fragment… · 4NC A707 · binds VAL135, LEU137, LYS231, PHE235, GLN351, ILE403, VAL405, THR464 and 7 more
  • 7PBY · Crystal structure of CD73 in complex with 4-nitrocatechol in the open form · 4NC A605 · binds ASN390, GLY392, GLY393, ARG395, PHE417, GLY447, PHE500, ASP506
  • 8AKB · Human Sirt6 in complex with ADP-ribose and fragment 4-nitrocatechol · 4NC A403 · binds ALA53, ILE61, PRO62, ASP63, PHE64, VAL70, PHE82, PHE86 and 4 more
  • 5PHD · Pandda analysis group deposition -- crystal structure of JMJD2D in complex with N09419A · 4NC A415 · binds SER80, GLY81, VAL85, THR87, LEU230, PHE231, PRO232
  • 6SDN · Trypanosoma cruzi farnesyl diphosphate synthase in complex with fragment J82 · 4NC A403 · binds PHE50, ARG51, THR54, THR212, TYR213, PHE246, VAL353, LYS356 and 2 more
  • 6W54 · Crystal structure of gallic acid decarboxylase from arxula adeninivorans · 4NC A301 · binds TRP35, ARG39, THR59, THR60, TRP61, ILE84, HIS86, ILE110 and 4 more
  • 6ZE6 · FAD-dependent oxidoreductase from chaetomium thermophilum in complex with fragment… · 4NC A707 · binds VAL135, LEU137, LYS231, PHE235, GLN351, ILE403, VAL405, THR464 and 6 more
  • 7JMV · Crystal structure of the pea pathogenicity protein 2 from madurella mycetomatis complexed… · 4NC A301 · binds TRP35, ARG39, THR59, THR60, TRP61, ILE84, HIS86, ILE110 and 4 more
  • 7PBY · Crystal structure of CD73 in complex with 4-nitrocatechol in the open form · 4NC A605 · binds ASN390, GLY392, GLY393, ARG395, PHE417, GLY447, PHE500, ASP506

Residues it binds most

PHE 19, VAL 14, THR 12, ILE 15, ASN 13, ARG 12, LEU 10, TYR 12, SER 12, GLY 8 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • CA · Calcium ion
  • K · Potassium ion
  • CL · Chloride ion
  • FDA · Dihydroflavine-adenine dinucleotide
  • CO · Cobalt (II) ion
  • MG · Magnesium ion
  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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