BMRB Entry 19912
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19912
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Title: MAJOR GROOVE ORIENTATION OF THE (2S)-N6-(2-HYDROXY-3-BUTEN-1-YL)-2'-DEOXYADENOSINE DNA ADDUCT INDUCED BY 1,2-EPOXY-3-BUTENE PubMed: 25238403
Deposition date: 2014-04-16 Original release date: 2014-10-06
Authors: Kowal, Ewa; Kotapati, Srikanth; Turo, Michael; Tretyakova, Natalia; Stone, Michael
Citation: Kowal, Ewa; Kotapati, Srikanth; Turo, Michael; Tretyakova, Natalia; Stone, Michael. "Major Groove Orientation of the (2S)-N(6)-(2-Hydroxy-3-buten-1-yl)-2'-deoxyadenosine DNA Adduct Induced by 1,2-Epoxy-3-butene" Chem. Res. Toxicol. ., .-..
Assembly members:
DNA_(5'-D(*CP*GP*GP*AP*CP*(6HB)P*AP*GP*AP*AP*G)-3'), polymer, 11 residues, 3084.065 Da.
DNA_(5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'), polymer, 11 residues, 3291.174 Da.
Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
DNA_(5'-D(*CP*GP*GP*AP*CP*(6HB)P*AP*GP*AP*AP*G)-3'): CGGACXAGAAG
DNA_(5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3'): CTTCTTGTCCG
- assigned_chemical_shifts
- homonucl_NOEs
| Data type | Count |
| 1H chemical shifts | 163 |
| homonuclear NOE values | 296 |