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Ligand · D17

D17 · N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-L-glutamic acid

D17, N-({3-[({4-[(Z)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl}amino)methyl]phenyl}carbonyl)-L-glutamic acid (C23 H21 N3 O6 S2, 499.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
D17
Formula
C23 H21 N3 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

D17 in 2 structures; the first of them:

  • 2WJP · Crystal structure of murd ligase in complex with D-glu containing rhodanine inhibitor · D17 A1441 · binds ILE11, GLY12, ASP35, THR36, ARG37, SER71, PRO72, GLY73 and 11 more
  • 2WJP · Crystal structure of murd ligase in complex with D-glu containing rhodanine inhibitor · D17 A1441 · binds ILE11, GLY12, ASP35, THR36, ARG37, SER71, PRO72, GLY73 and 11 more

Residues it binds most

ARG 2, GLY 2, ILE 2, PHE 2, SER 2, THR 2, ALA 2, ASN 2, ASP 2, HIS 2 (residue and the binding sites it lines).

Found with

  • AZI · Azide ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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