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Ligand · DES

DES · Diethylstilbestrol

DES, Diethylstilbestrol (C18 H20 O2, 268.4 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
DES
Formula
C18 H20 O2
Class
ligand
Structures
9
PDB entries
5

Binding sites

DES in 9 structures; the first of them:

  • 1S9P · crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in… · DES A459 · binds LEU265, LEU268, CYS269, LEU271, ALA272, GLU275, MET306, LEU309 and 12 more
  • 1TT6 · The orthorhombic crystal structure of transthyretin in complex with diethylstilbestrol · DES A129 · binds LYS15, LEU17, ALA108, ALA109, LEU110, SER117
  • 1TZ8 · The monoclinic crystal structure of transthyretin in complex with diethylstilbestrol · DES B128 · binds LYS15, LEU17, ALA108, ALA109, LEU110, SER117, THR119, LYS15 and 6 more
  • 3ERD · Human estrogen receptor alpha ligand-binding domain in complex with diethylstilbestrol… · DES A600 · binds MET343, LEU346, THR347, LEU349, ALA350, GLU353, TRP383, LEU384 and 12 more
  • 1S9P · Crystal structure of the ligand-binding domain of the estrogen-related receptor gamma in… · DES A459 · binds LEU265, LEU268, CYS269, LEU271, ALA272, GLU275, MET306, LEU309 and 12 more
  • 1TT6 · The orthorhombic crystal structure of transthyretin in complex with diethylstilbestrol · DES A129 · binds LYS15, LEU17, ALA108, ALA109, LEU110, SER117
  • 1TZ8 · The monoclinic crystal structure of transthyretin in complex with diethylstilbestrol · DES B128 · binds LYS15, LEU17, ALA108, ALA109, LEU110, SER117, THR119, LYS15 and 6 more
  • 3ERD · Human estrogen receptor alpha ligand-binding domain in complex with diethylstilbestrol… · DES A600 · binds MET343, LEU346, THR347, LEU349, ALA350, GLU353, TRP383, LEU384 and 12 more
  • 4ZN7 · Crystal structure of the er-alpha ligand-binding domain (Y537S) in complex with… · DES A601 · binds MET343, LEU346, THR347, LEU349, ALA350, GLU353, LEU384, LEU387 and 12 more

Residues it binds most

LEU 24, ALA 24, MET 14, ILE 12, THR 14, SER 10, ARG 14, GLU 14, HIS 14, PHE 14 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • CL · Chloride ion
  • CO3 · Carbonate ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • ACY · Acetic acid
  • DMS · Dimethyl sulfoxide

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