Download MendeleyPanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04
Garbers, T.B., Neumann, P., Wollenhaupt, J., Weiss, M.S., Ficner, R.To be published.
8OHF
PanDDA analysis group deposition -- CdaA in complex with fragment F2X-Entry F04
- PDB DOI: https://doi.org/10.2210/pdb8OHF/pdb
- Classification: TRANSFERASE
- Organism(s): Bacillus subtilis subsp. subtilis str. 168
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2023-03-21 Released: 2024-04-03
- Funding Organization(s): German Research Foundation (DFG)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.22 ?
- R-Value Free: 0.215
- R-Value Work: 0.186
- R-Value Observed: 0.186
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 | |
| RB7 (Subject of Investigation/LOI) Query on RB7 | C [auth A], D [auth B] | N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine C11 H16 Br N O2 S ODRAFWBQWMPBEH-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: 1.22 ?
- R-Value Free: 0.215
- R-Value Work: 0.186
- R-Value Observed: 0.186
- Space Group: C 1 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 118.93 | ¦Á = 90 |
| b = 39.13 | ¦Â = 95.54 |
| c = 68.2 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XSCALE | data scaling |
| XDS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-04-03 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: 2024-04-03
Type: Initial release
