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Ligand · B1T

B1T · 2,2'-sulfanediylbis(4,6-dichlorophenol)

B1T, 2,2'-sulfanediylbis(4,6-dichlorophenol) (C12 H6 Cl4 O2 S, 356.0 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
B1T
Formula
C12 H6 Cl4 O2 S
Class
ligand
Structures
5
PDB entries
4

Binding sites

B1T in 5 structures; the first of them:

  • 3ETD · Structure of glutamate dehydrogenase complexed with bithionol · B1T A552 · binds GLU142, ARG146, ASP181, SER185, LYS143, ARG146, ARG147, MET150 and 1 more
  • 5D0R · Crystal structure of human soluble Adenylyl Cyclase with the inhibitor bithionol · B1T A501 · binds PHE45, LYS95, PHE96, ALA97, ALA100, LEU101, LEU102, LEU166 and 8 more
  • 7ERH · Crystal structure of WT-TTR in complex with bithionol · B1T A201 · binds LYS15, LEU17, THR106, ALA108, ALA109, LEU110, THR119, ALA120 and 1 more
  • 8QQA · human carbonic anhydrase II in complex with Bithionol · B1T AAA303 · binds TRP5, PHE20, HIS64, PHE131, GLY132, VAL135, LEU198, PRO201 and 2 more
  • 7ERH · Crystal structure of wt-ttr in complex with bithionol · B1T A201 · binds LYS15, LEU17, THR106, ALA108, LEU110, THR119, VAL121

Residues it binds most

ARG 7, THR 8, LYS 10, LEU 4, VAL 6, MET 7, ALA 3, ASP 6, GLU 6, PHE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • EDO · 1,2-ethanediol
  • GLU · Glutamic acid
  • GTP · Guanosine-5'-triphosphate
  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • ZN · Zinc ion
  • ACT · Acetate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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