The protein display is Backbone, colored Structure; the DNA is Sticks, colored CPK with a backbone "trace". The side chains of the Cys4 zinc finger motifs are Sticks, colored CPK; the four Zn ions are spacefill, colored dark red. The N- and C-termini of one subunit are labeled. See Schwabe, et al. (1993) Fig. 3, middle.
The numbered "Highlight" buttons above display details of the DNA base, DNA backbone, and dimer interface sites on the ERDBD. The following paragraphs briefly describe the displays.
1. Close-up of the DNA base contacts in one half-site. The highlighted subunit is Backbone, colored Group; the five DNA base pairs in the recognition site are colored CPK. Residues in the binding pocket are Sticks, colored CPK. See Schwabe, Fig. 6.
Hydrogen bond distances in Å. Ordered H2O are shown as cyan balls, and distances to side chains or bases are in Å.
2. Close-up of the DNA backbone contacts. The labeled ER side
chains are Sticks, colored CPK; the DNA backbone contacted is colored CPK.
See Schwabe, Fig. 7b.
Side chain-DNA distances are in Å.
3. The dimer interface contacts.The side chain contacts of one subunit are spacefill; the same residues in the other subunit are Ball & Stick with a dot surface. Chain A atoms <4.5 Å from chain B are colored green. See Schwabe, Fig. 4.
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The structure is described by Schwabe, J. W., Chapman,
L., Finch, J. T., Rhodes, D. (1993) "The crystal structure of the estrogen
receptor DNA-binding domain bound to DNA: how receptors discriminate between
their response elements. Cell 75, 567. PubMed.
[1hcq.pdb; 2.4 Å; R = 0.20]
The coordinates are from one of the dimers in the original file.
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.
