Download MendeleyChanges in Active Site Loops Conformation Relates to a Transition from Lactonase to Phosphotriesterase
Jacquet, P., Billot, R., Shimon, A., Hoekstra, N., Bergonzi, C., Jenks, A., Chabriere, E., Daude, D., Elias, M.H.To be published.
8SFB
Crystal structure of the engineered SsoPox variant IVA4
- PDB DOI: https://doi.org/10.2210/pdb8SFB/pdb
- Classification: HYDROLASE
- Organism(s): Saccharolobus solfataricus P2
- Expression System: Escherichia coli 'BL21-Gold(DE3)pLysS AG
- Mutation(s): No
- Deposited: 2023-04-10 Released: 2024-04-17
- Funding Organization(s): Other government, Agence Nationale de la Recherche (ANR), National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.40 Å
- R-Value Free: 0.223
- R-Value Work: 0.199
- R-Value Observed: 0.200
wwPDB Validation 3D Report Full Report
This is version 1.0 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 |
| Aryldialkylphosphatase | A [auth D] | 314 | Saccharolobus solfataricus P2 | Mutation(s): 0 Gene Names: php, SSO2522 EC: 3.1.8.1 |  |
UniProt | |||||
Find proteins for Q97VT7 (Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2)) Explore Q97VT7 Go to UniProtKB: Q97VT7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q97VT7 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PO4 Query on PO4 | D | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
| GOL Query on GOL | E [auth D] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CO Query on CO | C [auth D] | COBALT (II) ION Co XLJKHNWPARRRJB-UHFFFAOYSA-N |  | ||
| FE Query on FE | B [auth D] | FE (III) ION Fe VTLYFUHAOXGGBS-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| KCX Query on KCX | A [auth D] | L-PEPTIDE LINKING | C7 H14 N2 O4 |  | LYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.40 Å
- R-Value Free: 0.223
- R-Value Work: 0.199
- R-Value Observed: 0.200
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 64.47 | α = 90 |
| b = 74.88 | β = 90 |
| c = 137.55 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| REFMAC | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-04-17 Deposition Author(s): Jacquet, P., Billot, R., Shimon, A., Hoekstra, N., Bergonzi, C., Jenks, A., Daude, D., Elias, M.H.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Other government | France | DGA |
| Agence Nationale de la Recherche (ANR) | France | 10-IAHU-03 |
| Other government | United States | Mndrive |
| Other government | United States | Biotechnology Institute |
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | R35GM133487 |
Revision History (Full details and data files)
- Version 1.0: 2024-04-17
Type: Initial release
