Download MendeleyWhen Computational Chemistry and Modern Software Get It Right; New Insight Into the Mechanism of a Glycyl Radical Enzyme
LaMattina, J., Wright, A.V., Demick, J., Soucaille, P., Lanzilotta, W.N.To be published.
4MTJ
Structure of the b12-independent glycerol dehydratase with 1,2-propanediol bound
- PDB DOI: https://doi.org/10.2210/pdb4MTJ/pdb
- Entry: 4MTJ supersedes: 1R9E
- Classification: HYDROLASE
- Organism(s): Clostridium butyricum
- Mutation(s): No
- Deposited: 2013-09-19 Released: 2013-10-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.215
- R-Value Work: 0.170
- R-Value Observed: 0.172
Starting Model: experimental
View more details
wwPDB Validation 3D Report Full Report
This is version 1.1 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 |
| B12-independent glycerol dehydratase | 787 | Clostridium butyricum | Mutation(s): 0 Gene Names: dhaB1 |  | |
UniProt | |||||
Find proteins for Q8GEZ8 (Clostridium butyricum) Explore Q8GEZ8 Go to UniProtKB: Q8GEZ8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8GEZ8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PGO Query on PGO | C [auth A], D [auth B] | S-1,2-PROPANEDIOL C3 H8 O2 DNIAPMSPPWPWGF-VKHMYHEASA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.215
- R-Value Work: 0.170
- R-Value Observed: 0.172
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 102.696 | α = 90 |
| b = 212.399 | β = 90 |
| c = 198.74 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
Entry History
Deposition Data
- Released Date: 2013-10-09 Deposition Author(s): LaMattina, J., Wright, A.V., Demick, J., Soucaille, P., Lanzilotta, W.N.
- This entry supersedes: 1R9E
Revision History (Full details and data files)
- Version 1.0: 2013-10-09
Type: Initial release - Version 1.1: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description
