Download MendeleyThe crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023032
Cuypers, M.G., Slavish, J.P., Rankovic, Z., White, S.W.To be published.
8DQS
The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023032
- PDB DOI: https://doi.org/10.2210/pdb8DQS/pdb
- Classification: VIRAL PROTEIN
- Organism(s): Influenza A virus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2022-07-19 Released: 2022-09-14
- Funding Organization(s): National Institutes of Health/National Cancer Institute (NIH/NCI)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.45 ?
- R-Value Free: 0.245
- R-Value Work: 0.207
- R-Value Observed: 0.209
Starting Model: experimental
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This is version 1.2 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Protein PA-X | 197 | Influenza A virus | Mutation(s): 0 Gene Names: PA |  | |
UniProt | |||||
Find proteins for C6H0Y9 (Influenza A virus) Explore C6H0Y9 Go to UniProtKB: C6H0Y9 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | C6H0Y9 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| QQ4 Query on QQ4 | E [auth A] | Hexa Vinylpyrrolidone K15 C36 H56 N6 O6 OFPQNVWJHZVWCZ-CMPUJJQDSA-N |  | ||
| T8I (Subject of Investigation/LOI) Query on T8I | D [auth A] | 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-6-oxo-2-[4-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-4-carboxamide C20 H17 F3 N4 O4 YIRAQEAGUHKGLT-UHFFFAOYSA-N |  | ||
| MN Query on MN | B [auth A], C [auth A] | MANGANESE (II) ION Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.45 ?
- R-Value Free: 0.245
- R-Value Work: 0.207
- R-Value Observed: 0.209
- Space Group: I 4 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 88.782 | ¦Á = 90 |
| b = 88.782 | ¦Â = 90 |
| c = 135.117 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-09-14 Deposition Author(s): Cuypers, M.G., Slavish, J.P., Rankovic, Z., White, S.W.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Cancer Institute (NIH/NCI) | United States | -- |
Revision History (Full details and data files)
- Version 1.0: 2022-09-14
Type: Initial release - Version 1.1: 2023-10-11
Changes: Data collection, Database references - Version 1.2: 2023-10-18
Changes: Refinement description
