Download MendeleyThe Crystal Structures of Middle East Respiratory Syndrome Coronavirus Papain-like Protease and Its Complex with an Inhibitor
Kong, L.Y., Wang, Q., Ming, Z.H., Sun, Y.N., Shaw, N., Yan, L.M., Lou, Z.Y., Rao, Z.H.To be published.
4R3D | pdb_00004r3d
Crystal structure of MERS Coronavirus papain like protease
- PDB DOI: https://doi.org/10.2210/pdb4R3D/pdb
- Classification: HYDROLASE
- Organism(s): Betacoronavirus England 1
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2014-08-15 Released: 2015-08-19
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.82 Å
- R-Value Free: 0.224 (Depositor), 0.230 (DCC)
- R-Value Work: 0.185 (Depositor), 0.190 (DCC)
- R-Value Observed: 0.187 (Depositor)
wwPDB Validation 3D Report Full Report
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 | A [auth B], B [auth A] | 336 | Betacoronavirus England 1 | Mutation(s): 0 Gene Names: 1a EC: 3.4.19.12 (PDB Primary Data), 3.4.22.69 (PDB Primary Data) |  |
UniProt | |||||
Find proteins for K9N638 (Middle East respiratory syndrome-related coronavirus (isolate United Kingdom/H123990006/2012)) Explore K9N638 Go to UniProtKB: K9N638 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | K9N638 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ZN Query on ZN | C [auth B], D [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.82 Å
- R-Value Free: 0.224 (Depositor), 0.230 (DCC)
- R-Value Work: 0.185 (Depositor), 0.190 (DCC)
- R-Value Observed: 0.187 (Depositor)
Space Group: I 4 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 136.624 | α = 90 |
| b = 136.624 | β = 90 |
| c = 239.518 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| PHENIX | model building |
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHENIX | phasing |
Entry History
Deposition Data
- Released Date: 2015-08-19 Deposition Author(s): Kong, L.Y., Wang, Q., Ming, Z.H., Shaw, N., Sun, Y.N., Yan, L.M., Lou, Z.Y., Rao, Z.H.
Revision History (Full details and data files)
- Version 1.0: 2015-08-19
Type: Initial release - Version 1.1: 2024-03-20
Changes: Data collection, Database references, Derived calculations
