Download MendeleyPanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02
Garbers, T.B., Neumann, P., Wollenhaupt, J., Weiss, M.S., Ficner, R.To be published.
8OGW
PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry D02
- PDB DOI: https://doi.org/10.2210/pdb8OGW/pdb
- Classification: TRANSFERASE
- Organism(s): Bacillus subtilis subsp. subtilis str. 168
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2023-03-20 Released: 2024-03-27
- Funding Organization(s): German Research Foundation (DFG)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.17 Å
- R-Value Free: 0.194
- R-Value Work: 0.179
- R-Value Observed: 0.179
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 |
| Cyclic di-AMP synthase CdaA | 154 | Bacillus subtilis subsp. subtilis str. 168 | Mutation(s): 0 Gene Names: cdaA, ybbP, BSU01750 EC: 2.7.7.85 |  | |
UniProt | |||||
Find proteins for Q45589 (Bacillus subtilis (strain 168)) Explore Q45589 Go to UniProtKB: Q45589 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q45589 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SY4 (Subject of Investigation/LOI) Query on SY4 | C [auth A], D [auth B] | ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide C9 H12 F2 N2 O2 S KLZYLFPBFHWHBO-UHFFFAOYSA-N |  | ||
| MG Query on MG | E [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.17 Å
- R-Value Free: 0.194
- R-Value Work: 0.179
- R-Value Observed: 0.179
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 118.87 | α = 90 |
| b = 39.24 | β = 95.31 |
| c = 68.17 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XSCALE | data scaling |
| XDS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-03-27 Deposition Author(s): Garbers, T.B., Neumann, P., Wollenhaupt, J., Weiss, M.S., Ficner, R.
| Funding Organization | Location | Grant Number |
|---|---|---|
| German Research Foundation (DFG) | Germany | SPP1879 |
Revision History (Full details and data files)
- Version 1.0: 2024-03-27
Type: Initial release
