Download MendeleyThe crystal structure of Chelerythrine bound to DNA d(CGTACG)
Ferraroni, M., Bazzicalupi, C., Gratteri, P., Bilia, A.R.To be published.
4D9Y
The crystal structure of Chelerythrine bound to DNA d(CGTACG)
- PDB DOI: https://doi.org/10.2210/pdb4D9Y/pdb
- NAKB: 4D9Y
- Classification: DNA
- Mutation(s): No
- Deposited: 2012-01-12 Released: 2013-01-23
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.314
- R-Value Work: 0.220
Starting Model: experimental
View more details
This is version 1.3 of the entry. See complete history.
Literature
To be published.
Macromolecules
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CTI Query on CTI | E [auth A] | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium C21 H18 N O4 LLEJIEBFSOEYIV-UHFFFAOYSA-N |  | ||
| CA Query on CA | F [auth B] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.314
- R-Value Work: 0.220
- Space Group: P 32 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 30.231 | α = 90 |
| b = 30.231 | β = 90 |
| c = 119.247 | γ = 120 |
| Software Name | Purpose |
|---|---|
| XSCALE | data scaling |
| MOLREP | phasing |
| SHELX | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| XDS | data scaling |
Entry History
Deposition Data
- Released Date: 2013-01-23 Deposition Author(s): Ferraroni, M., Bazzicalupi, C., Gratteri, P., Bilia, A.R.
Revision History (Full details and data files)
- Version 1.0: 2013-01-23
Type: Initial release - Version 1.1: 2013-03-13
Changes: Refinement description - Version 1.2: 2017-11-15
Changes: Refinement description - Version 1.3: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
