Download MendeleyDe novo enzyme design by artificial motif library scaffolding
Braun, M., Tripp, A., Stoll, D., Kaltenbrunner, S., Chakatok, M., Totaro, M.G., Hoch Cohen, S.Y., Elaily, W., Bijelic, A., Hall, M., OBerdorfer, G.To be published.
9FWA | pdb_00009fwa
Retroaldolase 36 (RAD36)
- PDB DOI: https://doi.org/10.2210/pdb9FWA/pdb
- Classification: DE NOVO PROTEIN
- Organism(s): synthetic construct
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2024-06-28 Released: 2025-07-09
- Funding Organization(s): Austrian Science Fund
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.73 Å
- R-Value Free: 0.231 (Depositor), 0.230 (DCC)
- R-Value Work: 0.189 (Depositor), 0.189 (DCC)
- R-Value Observed: 0.191 (Depositor)
Starting Model: in silico
View more details
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 |
| Retroaldolase 36 (RAD36) | 202 | synthetic construct | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AE4 Query on AE4 | D [auth A] | 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL C12 H26 O6 NJRFAMBTWHGSDE-UHFFFAOYSA-N |  | ||
| MG Query on MG | B [auth A], C [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.73 Å
- R-Value Free: 0.231 (Depositor), 0.230 (DCC)
- R-Value Work: 0.189 (Depositor), 0.189 (DCC)
- R-Value Observed: 0.191 (Depositor)
Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 46.6 | α = 90 |
| b = 55.932 | β = 90 |
| c = 73.336 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2025-07-09 Deposition Author(s): Bijelic, A., Braun, M., Stoll, D., Tripp, A., Chakatok, M., Oberdorfer, G.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Austrian Science Fund | Austria | -- |
Revision History (Full details and data files)
- Version 1.0: 2025-07-09
Type: Initial release
