BMRB Entry 17562
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PDB ID: 2lbi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17562
MolProbity Validation Chart
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NMR-STAR v3 text file.
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Citation: Huang, Hai; Wang, Hao; Kozekova, Albena; Rizzo, Carmelo; Stone, Michael. "Formation of a N2-dG:N2-dG carbinolamine DNA cross-link by the trans-4-hydroxynonenal-derived (6S,8R,11S) 1,N2-dG adduct" J. Am. Chem. Soc. 133, 16101-16110 (2011).
PubMed: 21916419
Assembly members:
DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), polymer, 12 residues, 3663.422 Da.
DNA (5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3'), polymer, 12 residues, 3663.422 Da.
HNE, non-polymer, 156.224 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(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'): GCTAGCGAGTCC
DNA (5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3'): GGACTCGCTAGC
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 150 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') | 1 |
| 2 | DNA (5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3') | 2 |
| 3 | (2E,4R)-4-HYDROXYNON-2-ENAL | 3 |
Entities:
Entity 1, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3') 12 residues - 3663.422 Da.
| 1 | DG | DC | DT | DA | DG | DC | DG | DA | DG | DT | ||||
| 2 | DC | DC |
Entity 2, DNA (5'-D(*GP*GP*AP*CP*TP*CP*GP*CP*TP*AP*GP*C)-3') 12 residues - 3663.422 Da.
| 1 | DG | DG | DA | DC | DT | DC | DG | DC | DT | DA | ||||
| 2 | DG | DC |
Entity 3, (2E,4R)-4-HYDROXYNON-2-ENAL - C9 H16 O2 - 156.224 Da.
| 1 | HNE |