Left model: the subunit (and the bound peptide) is Cartoons, colored Structure; DES 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. The NR Box II peptide is Sticks, colored gold. DES is Spacefill, colored green. See Shiau, et al. (1998) Fig. 2A (right).
The numbered "Highlight" buttons above display details of the DES, NR Box II peptide, and Helix 12 binding sites on ER. The following paragraphs briefly describe the displays.
1. Close-up of the DES binding site. H-bonding residues are Ball & Stick; apolar residues are shown as Sticks, colored CPK. See Shiau, Fig. 4A.
H-bond distances in Å.
Close contacts: ER atoms <4.5 Å from estradiol are yellow. Display the contact atoms as Spacefill or as Sticks (dots). 2. Close-up of the NR Box II peptide binding site. Interacting residues on ER are shown as Sticks, colored CPK. See Shiau, Fig. 3A.
Select and highlight the peptide or its site as:
Close contacts: ER atoms <4.5 Å from the NR Box II peptide are yellow; peptide atoms <4.5 Å from the ER are green.
Display the ER binding site as Spacefill and/or the peptide surface (dots).
LXXLL motif: the peptide main chain (residues 690-694) and side chains of Leu 690, Leu 693, and Leu 694 are orange.
3. Close-up of the Helix 12 binding site. Interacting residues
are shown as Sticks, colored CPK. See Shiau, Fig. 3A.
Select and highlight Helix 12 or its site as:
Close contacts: ER atoms <4.5 Å from Helix 12 are red;
Helix 12 atoms <4.5 Å from the ER are greenblue.
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.
[3erd.pdb; 2.0 Å; R = 0.20]
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.
