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Ligand · 80M

80M · sulfonato-thiacalix[4]arene

80M, sulfonato-thiacalix[4]arene (C24 H16 O16 S8, 816.9 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found…

Component
80M
Formula
C24 H16 O16 S8
Class
ligand
Structures
6
PDB entries
4

Binding sites

80M in 6 structures; the first of them:

  • 7PR2 · Cocrystal of cytochrome c and sulfonato-thiacalix[4]arene · 80M A202 · binds ARG13, THR69, ASN70, GLY83, GLY84, LEU85, LYS86, LYS87
  • 7PR4 · Cocrystal Form II of a cytochrome c, sulfonato-thiacalix[4]arene - zinc cluster · 80M A202 · binds SER2, ALA3, LYS4, LYS5
  • 7PR2 · Cocrystal of cytochrome C and sulfonato-THIACALIX[4]ARENE · 80M A202 · binds ARG13, THR69, ASN70, GLY83, GLY84, LEU85, LYS86, LYS87
  • 7PR3 · Cocrystal form I of a cytochrome C, sulfonato-THIACALIX[4]ARENE - zinc cluster · 80M A203 · binds SER2, ALA3, LYS4, LYS5, ALA7, HIS39, ASN56, VAL57 and 2 more
  • 7PR4 · Cocrystal form II of a cytochrome C, sulfonato-THIACALIX[4]ARENE - zinc cluster · 80M A202 · binds SER2, ALA3, LYS4, LYS5
  • 7PR5 · Cocrystal of an rsl-N23H and sulfonato-THIACALIX[4]ARENE - zinc complex · 80M K101 · binds GLY68, THR69, SER1, HIS23, SER1, HIS23, GLY68, THR69

Residues it binds most

LYS 14, THR 9, ALA 8, ASN 6, GLY 5, SER 9, GLU 4, LEU 6, ARG 4, HIS 3 (residue and the binding sites it lines).

Found with

  • HEC · Heme C
  • ZN · Zinc ion
  • PO4 · Phosphate ion
  • BDF · beta-D-fructopyranose
  • GOL · Glycerol

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