Download MendeleyCrystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 7 (P43 crystal form)
Correy, G.J., Fraser, J.S.To be published.
7TWX
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ADP-ribose at pH 7 (P43 crystal form)
- PDB DOI: https://doi.org/10.2210/pdb7TWX/pdb
- Classification: VIRAL PROTEIN
- Organism(s): Severe acute respiratory syndrome coronavirus 2
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2022-02-07 Released: 2022-02-23
- Funding Organization(s): National Institutes of Health/National Cancer Institute (NIH/NCI), National Science Foundation (NSF, United States)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 0.90 ?
- R-Value Free: 0.109
- R-Value Work: 0.095
- R-Value Observed: 0.096
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 |
| Non-structural protein 3 | 169 | Severe acute respiratory syndrome coronavirus 2 | Mutation(s): 0 Gene Names: rep, 1a-1b EC: 3.4.22 |  | |
UniProt | |||||
Find proteins for P0DTD1 (Severe acute respiratory syndrome coronavirus 2) Explore P0DTD1 Go to UniProtKB: P0DTD1 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0DTD1 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AR6 (Subject of Investigation/LOI) Query on AR6 | C [auth A] | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL
[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE C15 H23 N5 O14 P2 SRNWOUGRCWSEMX-ZQSHOCFMSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 0.90 ?
- R-Value Free: 0.109
- R-Value Work: 0.095
- R-Value Observed: 0.096
- Space Group: P 43
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 88.454 | ¦Á = 90 |
| b = 88.454 | ¦Â = 90 |
| c = 39.924 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| XDS | data reduction |
| PHENIX | refinement |
| XDS | data scaling |
| PHASER | phasing |
| Coot | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-02-23 Deposition Author(s): Correy, G.J., Fraser, J.S.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Cancer Institute (NIH/NCI) | United States | GM123159 |
| National Science Foundation (NSF, United States) | United States | 2031205 |
Revision History (Full details and data files)
- Version 1.0: 2022-02-23
Type: Initial release - Version 1.1: 2023-10-18
Changes: Data collection, Refinement description
