Overlay of docked and crystal structures of ERα LBD in complex with DES or E₂. A

Abstract

<p>. Superimposed structures of docking result and the crystal structure of ERα LBD in complex with DES. The known crystal structure of ERα LBD in complex with DES (PDB code: 3ERD) was colored in yellow with DES colored in green. The docked DES was colored in orange and ERα LBD was colored in magenta. <b>B</b>. Superimposed structures of docking result and the crystal structure of ERα LBD in complex with E₂. The known crystal structure of ERα LBD in complex with E₂ (PDB code: 3ERE) was colored in yellow with E₂ colored in green. The docked E₂ was colored in orange and ERα LBD was colored in magenta. The green dashes indicated the hydrogen bonds formed. All the structures were shown in ball and stick. The atoms involved with hydrogen bond formation were colored according to the atom type, i.e. white for hydrogen, red for oxygen and blue for nitrogen. Hydrogen atoms in other amino acids were not shown.</p