Left model: the subunit is Cartoons, colored Structure; OHT is Ball & Stick, colored CPK.
Right model: the subunit is Cartoons, colored light blue. Helices 3, 4, and 5 are dark blue; helix 12 is magenta. See Shiau, et al. (1998) Fig. 2B (right).
The numbered "Highlight" buttons above display details of the OHT and Helix 12 binding sites on ER. The following paragraphs briefly describe the displays.
1. Close-up of the OHT binding site. H-bonding residues are Ball & Stick; Apolar residues are shown as Sticks, colored CPK. See Shiau, Fig. 4B.
H-bond distances in Å.
Close contacts: ER atoms <4.5 Å from DES are yellow. Display the contact atoms as Spacefill or as Sticks (dots). 2. Close-up of helix 12 bound in the coactivator binding site. Interacting residues are shown as Sticks, colored CPK. Glu 542 is red. Lys 362 is blue. See Shiau, Fig. 3B.
Close contacts: ER atoms <4.5 Å from helix 12 are yellow; helix 12 atoms <4.5 Å from the ER are green.
Display the ER binding site as Spacefill and/or the helix 12 contacts as a Dot surface.
Page Top
This estrogen receptor structure is described in Shiau,
A. K., Barstad, D., Loria, P. M., Cheng, L., Kushner, P. J., Agard, D.
A., Greene, G. L. (1998) "The structural basis of estrogen receptor/coactivator
recognition and the antagonism of this interaction by tamoxifen". Cell
95 :927. PubMed.
[3ert.pdb; 1.9 Å; R = 0.23]
Additional ER structures:
A. Estrogen Receptora
ERa complexes with bound:
Estradiol (EST),
an agonist.
Raloxifene (RAL),
an antagonist.
Diethylstilbestrol (DES),
an agonist & the NR Box II peptide.
Tamoxifen (OHT), an antagonist.
(Estradiol (EST),
in an unusual tetrameric structure.)
B. Estrogen Receptorb
ERb complexes with bound:
Genistein (GEN),
a partial agonist.
Raloxifene (RAL),
an antagonist.
C. Structural Alignments Pairwise superimposed comparisons:
ERa
(EST) and ERb (GEN),
ERa vs. ERb
in agonist complexes.
ERa
(RAL) and ERb (RAL),
ERa vs. ERb
in antagonist complexes.
ERa:
DES and OHT, ERa:
agonist vs. antagonist complex.
ERa:
EST, Wild type ER vs. a triple mutant (Helix 12 in the antagonist
conformation).
ERa:
EST, The Brzozowski, et al. (1997) vs. Tanenbaum, et al. (1998)
models.
"Helix 12 Gallery":
ERa-EST vs. All five ER-antagonist
(SERM) models.
D. DNA-Binding Domain:
ER-DBD Complex
Base pair & backbone contacts.
