Summary information and primary citation
- PDB-id
-
121d;
SNAP-derived features in text and
JSON formats
- Class
- DNA
- Method
- X-ray (2.2 Å)
- Summary
- Molecular structure of the a-tract DNA dodecamer
d(cgcaaatttgcg) complexed with the minor groove binding
drug netropsin
- Reference
-
Tabernero L, Verdaguer N, Coll M, Fita I, van der Marel
GA, van Boom JH, Rich A, Aymami J (1993): "Molecular
structure of the A-tract DNA dodecamer d(CGCAAATTTGCG)
complexed with the minor groove binding drug
netropsin." Biochemistry,
32, 8403-8410. doi: 10.1021/bi00084a004.
- Abstract
- The molecular structure of the complex between the
minor groove binding drug netropsin and the dodecamer
d(CGCAAATTTGCG) has been solved and refined by X-ray
diffraction analysis to an R-factor of 19.8% and 2.2-A
resolution. The drug lies in the narrow minor groove of the
B-DNA fragment, covering five of the six A.T base pairs
(from A5.T20 to T9.A16). The long six A.T base pair tract
allows the drug to bind in a position that optimizes its
contacts with the DNA, establishing hydrogen bonds with O2
of thymines and N3 of adenines. The DNA molecule shows a
high propeller twist only at the A6.T19 step of the
A-tract. Two three-centered hydrogen bonds are observed in
the major groove at half of the A-tract.
