Download MendeleyPanDDA analysis group deposition
Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.To be published.
5SMH
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2856434938
- PDB DOI: https://doi.org/10.2210/pdb5SMH/pdb
- Deposition Group: G_1002230 (changed state) ExploreG_1002230
- Classification: HYDROLASE/HYDROLASE INHIBITOR
- Organism(s): Severe acute respiratory syndrome coronavirus 2
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2022-03-03 Released: 2022-03-16
- Funding Organization(s): Not funded
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.64 ?
- R-Value Free: 0.280
- R-Value Work: 0.211
- R-Value Observed: 0.214
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 |
| Proofreading exoribonuclease nsp14 | A [auth D] | 523 | Severe acute respiratory syndrome coronavirus 2 | Mutation(s): 0 Gene Names: rep, 1a-1b EC: 3.1.13 |  |
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 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 7ZC (Subject of Investigation/LOI) Query on 7ZC | G [auth D] | 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine C12 H16 N2 O GOERTRUXQHDLHC-UHFFFAOYSA-N |  | ||
| PO4 Query on PO4 | E [auth D], F [auth D] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
| ZN Query on ZN | B [auth D], C [auth D], D | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.64 ?
- R-Value Free: 0.280
- R-Value Work: 0.211
- R-Value Observed: 0.214
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 67.99 | ¦Á = 90 |
| b = 68.41 | ¦Â = 90 |
| c = 138.38 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| BUSTER | refinement |
| Aimless | data scaling |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| REFMAC | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2022-03-16 Deposition Author(s): Imprachim, N., Yosaatmadja, Y., von-Delft, F., Bountra, C., Gileadi, O., Newman, J.A.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Not funded | United Kingdom | None |
Revision History (Full details and data files)
- Version 1.0: 2022-03-16
Type: Initial release - Version 1.1: 2024-05-22
Changes: Data collection
