GL1X · GenesisL1 explorer

Ligand · NTE

NTE · [3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro panoato(2-)]iron

NTE, [3,3'-{7-ethenyl-3,8,13,17-tetramethyl-12-[(E)-2-nitroethenyl]porphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~}dipro panoato(2-)]iron (C34 H31 Fe N5 O6, 661.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB…

Component
NTE
Formula
C34 H31 Fe N5 O6
Class
ligand
Structures
6
PDB entries
3

Binding sites

NTE in 6 structures; the first of them:

  • 3OO4 · R-state human hemoglobin: nitriheme modified at alpha · NTE A142 · binds MET32, THR39, TYR42, PHE43, HIS45, PHE46, HIS58, LYS61 and 17 more
  • 3OO5 · R-state human hemoglobin: nitriheme modified · NTE A142 · binds MET32, THR39, TYR42, PHE43, HIS45, PHE46, HIS58, LYS61 and 17 more
  • 3VAU · Myoglobin nitrite structure: nitriheme modified · NTE A201 · binds LEU32, THR39, LYS42, PHE43, LYS45, HIS64, VAL67, VAL68 and 14 more
  • 3OO4 · R-state human hemoglobin: nitriheme modified at alpha · NTE A142 · binds MET32, THR39, TYR42, PHE43, HIS45, PHE46, HIS58, LYS61 and 17 more
  • 3OO5 · R-state human hemoglobin: nitriheme modified · NTE A142 · binds MET32, THR39, TYR42, PHE43, HIS45, PHE46, HIS58, LYS61 and 17 more
  • 3VAU · Myoglobin nitrite structure: nitriheme modified · NTE A201 · binds LEU32, THR39, LYS42, PHE43, LYS45, HIS64, VAL67, VAL68 and 14 more

Residues it binds most

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

Found with

  • NO2 · Nitrite ion
  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion

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