Download MendeleyPeptidic Alpha, Beta-Unsaturated Ethyl Esters as Inhibitors of the 3C Protease of Coxsackie Virus B3: Crystal Structures, Antiviral Activities, and Resistance Mutations
Tan, J., Anand, K., Mesters, J.R., Hilgenfeld, R.To be published.
3ZYE
Crystal structure of 3C protease mutant (T68A) of coxsackievirus B3
- PDB DOI: https://doi.org/10.2210/pdb3ZYE/pdb
- Classification: HYDROLASE
- Organism(s): Coxsackievirus B3
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2011-08-22 Released: 2012-08-29
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 ?
- R-Value Free: 0.258
- R-Value Work: 0.222
- R-Value Observed: 0.223
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
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 |
| 3C PROTEINASE | 184 | Coxsackievirus B3 | Mutation(s): 1 EC: 3.4.22.28 |  | |
UniProt | |||||
Find proteins for Q5UEA2 (Coxsackievirus B3) Explore Q5UEA2 Go to UniProtKB: Q5UEA2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q5UEA2 | ||||
Sequence AnnotationsExpand | |||||
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Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 ?
- R-Value Free: 0.258
- R-Value Work: 0.222
- R-Value Observed: 0.223
- Space Group: C 1 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 76.73 | α = 90 |
| b = 64.44 | β = 115.78 |
| c = 39.81 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| iMOSFLM | data reduction |
| SCALA | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2012-08-29 Deposition Author(s): Tan, J., Anand, K., Mesters, J.R., Hilgenfeld, R.
Revision History (Full details and data files)
- Version 1.0: 2012-08-29
Type: Initial release - Version 1.1: 2019-05-08
Changes: Data collection, Experimental preparation, Other - Version 1.2: 2023-12-20
Changes: Data collection, Database references, Other, Refinement description
