1M6F

Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove

Summary for 1M6F

DescriptorDNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION, 3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)-HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]-IMINOMETHYL]-BENZAMIDINIUM, ... (4 entities in total)
Functional Keywordsnucleic acids, minor groove binder, double helix, dna-drug complex, dna
Total number of polymer chains2
Total molecular weight7703.51
Authors
Nguyen, B.,Lee, M.P.H.,Hamelberg, D.,Joubert, A.,Bailly, C.,Brun, R.,Neidle, S.,Wilson, W.D. (deposition date: 2002-07-16, release date: 2002-11-15, Last modification date: 2017-10-11)
Primary citation
Nguyen, B.,Lee, M.P.H.,Hamelberg, D.,Joubert, A.,Bailly, C.,Brun, R.,Neidle, S.,Wilson, W.D.
Strong Binding in the DNA Minor Groove by an Aromatic Diamidine With a Shape That Does Not Match the Curvature of the Groove
J.Am.Chem.Soc., 124:13680-13681, 2002
PubMed: 12431090 (PDB entries with the same primary citation)
DOI: 10.1021/ja027953c
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.78 Å)
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Structure validation

RfreeClashscoreRSRZ outliers0.25960MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution