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Ligand · DBC

DBC · (4S,5S)-4,5-bis(mercaptomethyl)-1,3-dioxolan-2-ol

DBC, (4S,5S)-4,5-bis(mercaptomethyl)-1,3-dioxolan-2-ol (C5 H10 O3 S2, 182.3 g/mol), in the MolNFT structures on GenesisL1: bound in 12 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
DBC
Formula
C5 H10 O3 S2
Class
ligand
Structures
12
PDB entries
6

Binding sites

DBC in 12 structures; the first of them:

  • 3I2F · Cocaine Esterase with mutations T172R / G173Q, bound to DTT adduct · DBC A592 · binds TYR44, HIS87, SER117, TYR118, VAL121, PRO150, TRP151, TRP166 and 4 more
  • 3I2G · Cocaine Esterase with mutation G173Q, bound to DTT adduct · DBC A592 · binds TYR44, HIS87, SER117, TYR118, VAL121, PRO150, TRP151, ALA162 and 5 more
  • 3I2H · Cocaine Esterase with mutation L169K, bound to DTT adduct · DBC A592 · binds TYR44, HIS87, VAL116, SER117, TYR118, VAL121, PRO150, TRP151 and 6 more
  • 3I2I · Cocaine Esterase with mutation T172R, bound to DTT adduct · DBC A591 · binds TYR44, HIS87, SER117, TYR118, VAL121, PRO150, TRP151, ALA162 and 5 more
  • 3I2K · Cocaine Esterase, wild type, bound to a DTT adduct · DBC A591 · binds TYR44, HIS87, VAL116, SER117, TYR118, VAL121, PRO150, TRP151 and 6 more
  • 3IDA · Thermostable Cocaine Esterase with mutations L169K and G173Q, bound to DTT adduct · DBC A589 · binds TYR44, HIS87, SER117, TYR118, VAL121, PRO150, TRP151, TRP166 and 4 more
  • 3I2F · Cocaine esterase with mutations T172R / G173Q, bound to dtt adduct · DBC A592 · binds TYR44, HIS87, SER117, TYR118, VAL121, PRO150, TRP151, TRP166 and 4 more
  • 3I2G · Cocaine esterase with mutation G173Q, bound to dtt adduct · DBC A592 · binds TYR44, HIS87, SER117, TYR118, VAL121, PRO150, TRP151, ALA162 and 5 more
  • 3I2H · Cocaine esterase with mutation L169K, bound to dtt adduct · DBC A592 · binds TYR44, HIS87, VAL116, SER117, TYR118, VAL121, PRO150, TRP151 and 6 more
  • 3I2I · Cocaine esterase with mutation T172R, bound to dtt adduct · DBC A591 · binds TYR44, HIS87, SER117, TYR118, VAL121, PRO150, TRP151, ALA162 and 5 more
  • 3I2K · Cocaine esterase, wild type, bound to a dtt adduct · DBC A591 · binds TYR44, HIS87, VAL116, SER117, TYR118, VAL121, PRO150, TRP151 and 6 more
  • 3IDA · Thermostable cocaine esterase with mutations L169K and G173Q, bound to dtt adduct · DBC A589 · binds TYR44, HIS87, SER117, TYR118, VAL121, PRO150, TRP151, TRP166 and 4 more

Residues it binds most

HIS 12, PHE 12, TRP 12, TYR 12, VAL 12, LEU 12, PRO 12, SER 12, ALA 8 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • GOL · Glycerol
  • SO4 · Sulfate ion

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