BMRB Entry 19912
Click here to enlarge.
PDB ID: 2mnx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19912
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
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. ., .-..
PubMed: 25238403
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 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA (5'-D(*CP*GP*GP*AP*CP*(6HB)P*AP*GP*AP*AP*G)-3') | 1 |
| 2 | DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3') | 2 |
Entities:
Entity 1, DNA (5'-D(*CP*GP*GP*AP*CP*(6HB)P*AP*GP*AP*AP*G)-3') 11 residues - 3084.065 Da.
| 1 | DC | DG | DG | DA | DC | 6HB | DA | DG | DA | DA | ||||
| 2 | DG |
Entity 2, DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3') 11 residues - 3291.174 Da.
| 1 | DC | DT | DT | DC | DT | DT | DG | DT | DC | DC | ||||
| 2 | DG |