Download MendeleyA new class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication
Mesecar, A.D., Ratia, K., Pegan, S.To be published.
3E9S
A new class of papain-like protease/deubiquitinase inhibitors blocks SARS virus replication
- PDB DOI: https://doi.org/10.2210/pdb3E9S/pdb
- Classification: HYDROLASE
- Organism(s): Severe acute respiratory syndrome-related coronavirus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2008-08-23 Released: 2008-10-07
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 ?
- R-Value Free: 0.261
- R-Value Work: 0.196
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 | 318 | Severe acute respiratory syndrome-related coronavirus | Mutation(s): 0 Gene Names: 1a EC: 3.4.22 |  | |
UniProt | |||||
Find proteins for P0C6U8 (Severe acute respiratory syndrome coronavirus) Explore P0C6U8 Go to UniProtKB: P0C6U8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0C6U8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| TTT Query on TTT | B [auth A] | 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide C20 H20 N2 O UVERBUNNCOKGNZ-CQSZACIVSA-N |  | ||
| ZN Query on ZN | C [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
| CL Query on CL | D [auth A], E [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| OCS Query on OCS | A | L-PEPTIDE LINKING | C3 H7 N O5 S |  | CYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 ?
- R-Value Free: 0.261
- R-Value Work: 0.196
- Space Group: I 2 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 71.703 | ¦Á = 90 |
| b = 90.684 | ¦Â = 90 |
| c = 109.537 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| MOLREP | phasing |
| CNS | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2008-10-07 Deposition Author(s): Mesecar, A.D., Ratia, K., Pegan, S.
Revision History (Full details and data files)
- Version 1.0: 2008-10-07
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance
