1DSM
(-)-duocarmycin SA covalently linked to duplex DNA
Summary for 1DSM
| Entry DOI | 10.2210/pdb1dsm/pdb |
| Descriptor | 5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3', 5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3', 4-HYDROXY-8-METHYL-6-(4,5,6-TRIMETHOXY-1H-INDOLE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER (3 entities in total) |
| Functional Keywords | duocarmycin, dna, minor groove binding, antitumor agent, drug-dna complex |
| Total number of polymer chains | 2 |
| Total formula weight | 7184.91 |
| Authors | Smith, J.A.,Case, D.A.,Chazin, W.J. (deposition date: 1999-03-27, release date: 1999-04-02, Last modification date: 2023-12-27) |
| Primary citation | Smith, J.A.,Bifulco, G.,Case, D.A.,Boger, D.L.,Gomez-Paloma, L.,Chazin, W.J. The structural basis for in situ activation of DNA alkylation by duocarmycin SA J.Mol.Biol., 300:1195-1204, 2000 Cited by PubMed Abstract: Duocarmycin SA is a member of a growing class of interesting lead compounds for chemotherapy, distinguished by the manner in which they bind to and react with DNA substrates. The first three-dimensional structure of a DNA adduct of an unnatural enantiomer from this family has been determined by (1)H NMR methods. Comparison to the previously determined structure of the natural enantiomer bound in the same DNA-binding site provides unique insights into the similarities and critical distinctions producing the respective alkylation products and site selectivities. The results also support the hypothesis that the duocarmycin SA alkylation reaction is catalyzed by the binding to DNA, and provide a deeper understanding of the structural basis for this unique mode of activation. PubMed: 10903864DOI: 10.1006/jmbi.2000.3887 PDB entries with the same primary citation |
| Experimental method | SOLUTION NMR |
Structure validation
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