Figure 23.3.4.3

Dickerson, R. E.

doi:10.1107/97809553602060000716

International
Tables for
Crystallography
Volume F
Crystallography of biological macromolecules
Edited by M. G. Rossmann and E. Arnold

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International Tables for Crystallography (2006). Vol. F. ch. 23.3, p. 603 | 1 | 2 |

Figure 23.3.4.3

R. E. Dickerson^a ^*

^a Molecular Biology Institute, University of California, Los Angeles, Los Angeles, CA 90095–1570, USA
Correspondence e-mail: red@mbi.ucla.edu

Figure 23.3.4.3

Structure of the 1:1 complex of netropsin with C-G-C-G-A-A-T-T-C-G-C-G (B11, B12, B87). The drug binds to the central -A-A-T-T- region of the minor groove, which is barely wide enough to enclose the nearly planar polyamide molecule. The netropsin structure can be represented by $[ ^{+}(\hbox{NH}_{2})_{2}\hbox{C---NH---CH}_{2}\hbox{---CONH---Py---CONH---Py---CONH---CH}_{2}\hbox{---CH}_{2}\hbox{---C}(\hbox{NH}_{2})_{2}^{+}]$ where Py is a five-membered methylpyrrole ring. An even more compact representation, useful when comparing other polyamide netropsin analogues or lexitropsins, is ⁺=Py=Py=⁺, where the common cationic tails are indicated only by a plus sign, and = represents a —CONH— amide.