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Ligand · Z82

Z82 · 4-bromobenzoic acid

Z82, 4-bromobenzoic acid (C7 H5 Br O2, 201.0 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
Z82
Formula
C7 H5 Br O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

Z82 in 6 structures; the first of them:

  • 3LBW · High resolution crystal structure of transmembrane domain of M2 · Z82 A24 · binds PRO25, LEU26, VAL27, VAL28
  • 3Q3M · Toluene 4 monooxygenase HD Complex with Inhibitor 4-Bromobenzoate · Z82 A510 · binds ALA99, ILE100, GLY103, GLU104, ALA107, GLU134, TYR162, PHE176 and 7 more
  • 3T6I · Endothiapepsin in complex with an azepin derivative · Z82 A2002 · binds GLY80, ILE217, GLY299, ILE300, ILE302, ILE304
  • 3LBW · High resolution crystal structure of transmembrane domain of M2 · Z82 A24 · binds PRO25, LEU26, VAL27, VAL28
  • 3Q3M · Toluene 4 monooxygenase hd complex with inhibitor 4-bromobenzoate · Z82 A510 · binds ALA99, ILE100, GLY103, GLU104, ALA107, GLU134, TYR162, PHE176 and 7 more
  • 3T6I · Endothiapepsin in complex with an azepin derivative · Z82 A2002 · binds GLY80, ILE217, GLY299, ILE300, ILE302, ILE304

Residues it binds most

GLU 12, ILE 14, LEU 22, VAL 12, ALA 10, LYS 10, PHE 4, PRO 10, ARG 6, GLY 6 (residue and the binding sites it lines).

Found with

  • NC8 · (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium
  • NC9 · (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium
  • XYL · Xylitol
  • FE · Fe (III) ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether
  • NH2 · Amino group

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