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Ligand · NBE

NBE · Nitrosobenzene

NBE, Nitrosobenzene (C6 H5 N O, 107.1 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
NBE
Formula
C6 H5 N O
Class
ligand
Structures
10
PDB entries
6

Binding sites

NBE in 10 structures; the first of them:

  • 1LH7 · X-ray structural investigation of leghemoglobin. VI. structure of… · NBE A155 · binds PHE30, PHE44, PHE46, HIS63, ALA64, VAL67, HIS97, VAL110
  • 2LH7 · X-ray structural investigation of leghemoglobin. VI. structure of… · NBE A155 · binds PHE30, PHE44, PHE46, HIS63, ALA64, VAL67, HIS97, VAL110
  • 2NSS · Nitrobenzene Modified Horse Heart Myoglobin · NBE A371 · binds LEU29, LEU32, PHE33, PHE43, HIS64, VAL68, HIS93, ILE107
  • 3HU9 · Nitrosobenzene in complex with T4 lysozyme L99A/M102Q · NBE A166 · binds ILE78, LEU84, VAL87, TYR88, ALA99, GLN102, VAL103, VAL111 and 3 more
  • 8FDJ · Wild-Type Sperm Whale Myoglobin in Complex with Nitrosobenzene · NBE A202 · binds LEU29, LEU32, PHE33, PHE43, HIS64, VAL68, HIS93, ILE107
  • 8FDK · Phenylhydroxylamine in Reaction with Human Hemoglobin · NBE B202 · binds VAL67, PHE71, PHE103, LEU106, GLY107, LEU110, VAL134, VAL137 and 2 more
  • 1LH7 · X-ray structural investigation of leghemoglobin. VI. structure of… · NBE A155 · binds PHE30, PHE44, PHE46, HIS63, ALA64, VAL67, HIS97, VAL110
  • 2LH7 · X-ray structural investigation of leghemoglobin. VI. structure of… · NBE A155 · binds PHE30, PHE44, PHE46, HIS63, ALA64, VAL67, HIS97, VAL110
  • 2NSS · Nitrobenzene modified horse heart myoglobin · NBE A371 · binds LEU29, LEU32, PHE33, PHE43, HIS64, VAL68, HIS93, ILE107
  • 3HU9 · Nitrosobenzene in complex with T4 lysozyme L99A/M102Q · NBE A166 · binds ILE78, LEU84, VAL87, TYR88, ALA99, GLN102, VAL103, VAL111 and 3 more

Residues it binds most

PHE 17, LEU 11, VAL 15, HIS 12, ALA 14, LYS 8, ILE 7, TYR 6, GLN 4, GLY 4 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • PO4 · Phosphate ion
  • GOL · Glycerol

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