BMRB Entry 19661
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PDB ID: 2mhz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19661
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
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Citation: Kowal, Ewa; Seneviratne, Uthpala; Wickramaratne, Susith; Doherty, Kathleen; Cao, Xiangkun; Tretyakova, Natalia; Stone, Michael. "Structures of Exocyclic R,R- and S,S-N(6),N(6)-(2,3-Dihydroxybutan-1,4-diyl)-2'-Deoxyadenosine Adducts Induced by 1,2,3,4-Diepoxybutane" Chem. Res. Toxicol. 27, 805-817 (2014).
PubMed: 24741991
Assembly members:
DNA_(5'-D(*CP*GP*GP*AP*CP*(SDE)P*AP*GP*AP*AP*G)-3'), polymer, 11 residues, 3103.081 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*(SDE)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 | 198 |
| homonuclear NOE values | 202 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | modified strand | 1 |
| 2 | complementary strand | 2 |
Entities:
Entity 1, modified strand 11 residues - 3103.081 Da.
| 1 | DC | DG | DG | DA | DC | SDE | DA | DG | DA | DA | ||||
| 2 | DG |
Entity 2, complementary strand 11 residues - 3291.174 Da.
| 1 | DC | DT | DT | DC | DT | DT | DG | DT | DC | DC | ||||
| 2 | DG |