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Ligand · DOE

DOE · (S)-2-(4-(2-(2-hydroxyethylthio)-acetamido)-benzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetate

DOE, (S)-2-(4-(2-(2-hydroxyethylthio)-acetamido)-benzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetate (C27 H41 N5 O10 S, 627.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
DOE
Formula
C27 H41 N5 O10 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

DOE in 2 structures; the first of them:

  • 1NC2 · Crystal Structure of Monoclonal Antibody 2D12.5 Fab Complexed with Y-DOTA · DOE B500 · binds TYR34, GLY52, TRP93, TRP98, HIS35, TRP52, SER53, ARG98 and 4 more
  • 1NC2 · Crystal structure of monoclonal antibody 2D12.5 Fab complexed with Y- dota · DOE B500 · binds TYR34, GLY52, TRP93, TRP98, HIS35, TRP52, SER53, ARG98 and 4 more

Residues it binds most

TRP 4, GLY 4, SER 4, TYR 4, ARG 4, ASN 4, HIS 4 (residue and the binding sites it lines).

Found with

  • YT3 · Yttrium (III) ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion

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