Abstract
A new definition is presented for minor-groove width in double-helical B-DNA structures. This uses interstrand H4′…H5′ rather than P…P distances. It is shown by examination of various oligonucleotide crystal structures that these H4′…H5′ distances are a sensitive measure of minor-groove drug and protein binding, since these hydrogen atoms are in direct non-bonded contact with such bound ligands.
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