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Ligand · DCD

DCD · Diethylcarbamodithioic acid

DCD, Diethylcarbamodithioic acid (C5 H11 N S2, 149.3 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…

Component
DCD
Formula
C5 H11 N S2
Class
ligand
Structures
6
PDB entries
3

Binding sites

DCD in 6 structures; the first of them:

  • 1GQG · Quercetin 2,3-dioxygenase in complex with the inhibitor diethyldithiocarbamate · DCD A1351 · binds TYR35, MET51, VAL63, HIS66, HIS68, GLU73, PHE75, HIS112 and 6 more
  • 4OLC · Carbamate kinase from Giardia lamblia thiocarbamoylated by disulfiram on Cys242 · DCD A402 · binds ASP237, LEU239, SER299
  • 4PE1 · Crystal Structure of Calcium-loaded S100B bound to SC124 · DCD A101 · binds HIS42, PHE43, CYS84, PHE87
  • 1GQG · Quercetin 2,3-dioxygenase in complex with the inhibitor diethyldithiocarbamate · DCD A1351 · binds TYR35, MET51, VAL63, HIS66, HIS68, GLU73, PHE75, HIS112 and 6 more
  • 4OLC · Carbamate kinase from giardia lamblia thiocarbamoylated by disulfiram on CYS242 · DCD A402 · binds ASP237, LEU239, SER299
  • 4PE1 · Crystal structure of calcium-loaded S100B bound to SC124 · DCD A101 · binds HIS42, PHE43, CYS84, PHE87

Residues it binds most

PHE 12, HIS 10, MET 8, VAL 14, ILE 10, GLU 8, GLY 8, TYR 8, CYS 6, SER 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CU · Copper (II) ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CIT · Citric acid

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