Download MendeleyRight-left hybrid parallel G-quadruplex in complex with N-methyl mesoporphyrin
Seth, P.C., Yatsunyk, L.A.To be published.
8TAA
Right-left hybrid parallel G-quadruplex in complex with N-methyl mesoporphyrin
- PDB DOI: https://doi.org/10.2210/pdb8TAA/pdb
- NAKB: 8TAA
- Classification: DNA
- Organism(s): Homo sapiens
- Mutation(s): No
- Deposited: 2023-06-27 Released: 2024-07-03
- Funding Organization(s): National Institutes of Health/National Cancer Institute (NIH/NCI)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.45 ?
- R-Value Free: 0.227
- R-Value Work: 0.178
- R-Value Observed: 0.181
Starting Model: experimental
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This is version 2.0 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar nucleic acids by: Sequence | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Length | Organism | Image | |
| DNA (25-MER) | 25 | Homo sapiens |  | ||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MMP Query on MMP | D [auth A] | N-METHYLMESOPORPHYRIN C35 H40 N4 O4 YNWHQWMCLCANDI-YIYRCNGCSA-N |  | ||
| SPK Query on SPK | B [auth A] | SPERMINE (FULLY PROTONATED FORM) C10 H30 N4 PFNFFQXMRSDOHW-UHFFFAOYSA-R |  | ||
| MPD Query on MPD | C [auth A] | (4S)-2-METHYL-2,4-PENTANEDIOL C6 H14 O2 SVTBMSDMJJWYQN-YFKPBYRVSA-N |  | ||
| K Query on K | E [auth A], F [auth A], G [auth A] | POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.45 ?
- R-Value Free: 0.227
- R-Value Work: 0.178
- R-Value Observed: 0.181
- Space Group: P 41 21 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 30.897 | ¦Á = 90 |
| b = 30.897 | ¦Â = 90 |
| c = 141.543 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| Coot | model building |
| PHENIX | phasing |
| XDS | data reduction |
| XDS | data scaling |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-07-03 Deposition Author(s): Seth, P.C., Yatsunyk, L.A.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Cancer Institute (NIH/NCI) | United States | 1R15CA253134 |
Revision History (Full details and data files)
- Version 1.0: 2024-07-03
Type: Initial release - Version 2.0: 2024-10-16
Type: Coordinate replacement
Reason: Model completeness
Changes: Advisory, Atomic model, Author supporting evidence, Data collection, Derived calculations, Experimental preparation, Non-polymer description, Refinement description, Structure summary
