Download MendeleyCrystal structure of the influenza virus PA endonuclease in complex with Baloxavir Acid
Kumar, G., White, S.W.To be published.
7K0W
The crystal structure of the 2009/H1N1/California PA endonuclease (construct with truncated loop 51-72) in complex with Baloxavir acid
- PDB DOI: https://doi.org/10.2210/pdb7K0W/pdb
- Classification: VIRAL PROTEIN, HYDROLASE
- Organism(s): Influenza A virus (A/California/04/2009(H1N1))
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2020-09-06 Released: 2020-12-16
- Funding Organization(s): National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.09 ?
- R-Value Free: 0.248
- R-Value Work: 0.216
- R-Value Observed: 0.218
Starting Model: experimental
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This is version 1.1 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 |
| Polymerase acidic protein | 197 | Influenza A virus (A/California/04/2009(H1N1)) | Mutation(s): 0 Gene Names: PA EC: 3.1 |  | |
UniProt | |||||
Find proteins for C3W5S0 (Influenza A virus (strain swl A/California/04/2009 H1N1)) Explore C3W5S0 Go to UniProtKB: C3W5S0 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | C3W5S0 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| E4Z (Subject of Investigation/LOI) Query on E4Z | B [auth A] | Baloxavir acid C24 H19 F2 N3 O4 S FIDLLEYNNRGVFR-CTNGQTDRSA-N |  | ||
| SO4 Query on SO4 | E [auth A], F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| MN Query on MN | C [auth A], D [auth A] | MANGANESE (II) ION Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.09 ?
- R-Value Free: 0.248
- R-Value Work: 0.216
- R-Value Observed: 0.218
- Space Group: I 4 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 89.718 | ¦Á = 90 |
| b = 89.718 | ¦Â = 90 |
| c = 133.763 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data scaling |
| PDB_EXTRACT | data extraction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2020-12-16 Deposition Author(s): Kumar, G., White, S.W.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | R01AI098757 |
Revision History (Full details and data files)
- Version 1.0: 2020-12-16
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Database references, Refinement description
