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Ligand · NBZ

NBZ · Nitrobenzene

NBZ, Nitrobenzene (C6 H5 N O2, 123.1 g/mol), in the MolNFT structures on GenesisL1: bound in 11 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
NBZ
Formula
C6 H5 N O2
Class
ligand
Structures
11
PDB entries
6

Binding sites

NBZ in 11 structures; the first of them:

  • 2BMQ · The Crystal Structure of Nitrobenzene Dioxygenase in complex with nitrobenzene · NBZ A1442 · binds ASN199, PHE200, ASP203, HIS206, VAL207, PHE222, ASN258, PHE293 and 4 more
  • 3BGU · Crystal structure of a dimeric ferredoxin-like protein of unknown function (tfu_0763)… · NBZ A112 · binds HIS5, ALA7, PHE9, LEU27, VAL57, TYR70, HIS76, ALA79 and 3 more
  • 4EKP · T4 Lysozyme L99A/M102H with Nitrobenzene Bound · NBZ A202 · binds ILE78, LEU84, VAL87, TYR88, LEU91, ALA99, HIS102, VAL103 and 4 more
  • 4R6Q · Jacalin-carbohydrate interactions. Distortion of the ligand as a determinant of affinity. · NBZ A201 · binds SER76, TYR78, TYR122, TRP123
  • 7V8U · Crystal structure of PsEst3 wild-type · NBZ A302 · binds ILE193, GLN195, GLN207, GLN208, LYS211, TYR219, ILE220, SER221
  • 7VUB · Phloem lectin (PP2) complex with Nitrobenzene · NBZ A201 · binds THR18, TRP19, TRP48
  • 2BMQ · The crystal structure of nitrobenzene dioxygenase in complex with nitrobenzene · NBZ A1442 · binds ASN199, PHE200, ASP203, HIS206, VAL207, PHE222, ASN258, PHE293 and 4 more
  • 3BGU · Crystal structure of a dimeric ferredoxin-like protein of unknown function (TFU_0763)… · NBZ A112 · binds HIS5, ALA7, PHE9, LEU27, VAL57, TYR70, HIS76, ALA79 and 3 more
  • 4EKP · T4 lysozyme L99A/M102H with nitrobenzene bound · NBZ A202 · binds ILE78, LEU84, VAL87, TYR88, LEU91, ALA99, HIS102, VAL103 and 4 more
  • 4R6Q · Jacalin-carbohydrate interactions. distortion of the ligand as a determinant of affinity. · NBZ A201 · binds SER76, TYR78, TYR122, TRP123
  • 7V8U · Crystal structure of PSEST3 wild-type · NBZ A302 · binds ILE193, GLN195, GLN207, GLN208, LYS211, TYR219, ILE220, SER221

Residues it binds most

TYR 16, LEU 8, VAL 8, ILE 10, PHE 8, TRP 11, HIS 8, SER 10, ALA 6, ASN 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • FES · Fe2/s2 (inorganic) cluster
  • FE · Fe (III) ion
  • NI · Nickel (II) ion
  • GLA · alpha-D-galactopyranose
  • CL · Chloride ion
  • BME · Beta-mercaptoethanol
  • EOH · Ethanol
  • HED · 2-hydroxyethyl disulfide
  • IPA · Isopropyl alcohol

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