Download MendeleyDomain swapped dimer of smolstatin (stefin) from Sphaerospora molnari
Havlickova, P., Kuta Smatanova, I., Sojka, D., Bartosova-Sojkova, P.To be published.
8AND
Domain swapped dimer of smolstatin (stefin) from Sphaerospora molnari
- PDB DOI: https://doi.org/10.2210/pdb8AND/pdb
- Classification: HYDROLASE INHIBITOR
- Organism(s): Sphaerospora molnari
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2022-08-05 Released: 2024-04-17
- Funding Organization(s): Grant Agency of the Czech Republic, European Regional Development Fund
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.99 Å
- R-Value Free: 0.245
- R-Value Work: 0.199
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 |
| Smolstatin | A [auth AAA], B [auth BBB] | 100 | Sphaerospora molnari | Mutation(s): 0 |  |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| EDO Query on EDO | C [auth AAA], D [auth AAA], E [auth AAA], F [auth BBB] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.99 Å
- R-Value Free: 0.245
- R-Value Work: 0.199
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 30.508 | α = 90 |
| b = 97.867 | β = 101.914 |
| c = 38.626 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| iMOSFLM | data reduction |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-04-17 Deposition Author(s): Havlickova, P., Bartosova-Sojkova, P., Sojka, D., Kascakova, B., Gavira, J.A., Kuta Smatanova, I.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Grant Agency of the Czech Republic | Czech Republic | 21-16565S |
| European Regional Development Fund | European Union | CZ.02.1.01/0.0/0.0/15_003/0000441 |
Revision History (Full details and data files)
- Version 1.0: 2024-04-17
Type: Initial release
