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Ligand · IS8

IS8 · isothiocyanate

IS8, isothiocyanate (C H N S, 59.1 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 ligands found with it.

Component
IS8
Formula
C H N S
Class
ligand
Structures
5
PDB entries
4

Binding sites

IS8 in 5 structures; the first of them:

  • 6GNQ · Monoclinic crystalline form of human insulin, complexed with meta-cresol · IS8 B102 · binds LEU6, HIS10, LEU6, HIS10, LEU6, HIS10
  • 5K90 · Crystal structure of dimeric chlorite dismutase from cyanothece sp. PCC7425 in complex… · IS8 A501 · binds ARG127, ARG128, LEU129, THR143, PHE145
  • 6GNQ · Monoclinic crystalline form of human insulin, complexed with meta- cresol · IS8 B102 · binds LEU6, HIS10, LEU6, HIS10, LEU6, HIS10
  • 7AVK · Streptococcal high identity repeats in tandem (shirt) domain 10 from cell surface protein… · IS8 A1401 · binds GLN1256, PHE1271, SER1273, TYR1274, THR1277
  • 7B9Z · Structure of the FKBP51FK1 domain in complex with the macrocyclic safit analogue 35-(E) · IS8 A202 · binds LEU61, SER62, ASN63, ALA126, THR127

Residues it binds most

LEU 14, HIS 8, ARG 4, PHE 7, THR 7, LYS 4, SER 4, GLN 2, GLY 2, TYR 2 (residue and the binding sites it lines).

Found with

  • CRS · M-cresol
  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • HEM · Protoporphyrin IX containing Fe
  • MG · Magnesium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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