Download MendeleyCrystal structure of 2-dehydropantoate 2-reductase from Methylococcus capsulatus
Bonanno, J.B., Gilmore, M., Bain, K.T., Chang, S., Sampathkumar, P., Sauder, J.M., Burley, S.K., Almo, S.C.To be published.
3I83
Crystal structure of 2-dehydropantoate 2-reductase from Methylococcus capsulatus
- PDB DOI: https://doi.org/10.2210/pdb3I83/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Methylococcus capsulatus
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2009-07-09 Released: 2009-07-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.227
- R-Value Work: 0.192
- R-Value Observed: 0.194
wwPDB Validation 3D Report Full Report
This is version 1.5 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 |
| 2-dehydropantoate 2-reductase | 320 | Methylococcus capsulatus | Mutation(s): 0 Gene Names: MCA2523, panE EC: 1.1.1.169 |  | |
UniProt | |||||
Find proteins for Q604L6 (Methylococcus capsulatus (strain ATCC 33009 / NCIMB 11132 / Bath)) Explore Q604L6 Go to UniProtKB: Q604L6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q604L6 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ACY Query on ACY | C [auth A] | ACETIC ACID C2 H4 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.227
- R-Value Work: 0.192
- R-Value Observed: 0.194
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 75.851 | α = 90 |
| b = 79.179 | β = 90 |
| c = 100.626 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| MAR345 | data collection |
| MOSFLM | data reduction |
| SHELXCD | phasing |
| SHELXE | model building |
Entry History
Deposition Data
- Released Date: 2009-07-21 Deposition Author(s): Bonanno, J.B., Gilmore, M., Bain, K.T., Chang, S., Sampathkumar, P., Sauder, J.M., Burley, S.K., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
Revision History (Full details and data files)
- Version 1.0: 2009-07-21
Type: Initial release - Version 1.1: 2011-07-13
Changes: Advisory, Version format compliance - Version 1.2: 2017-11-01
Changes: Refinement description - Version 1.3: 2018-11-21
Changes: Data collection, Structure summary - Version 1.4: 2021-02-10
Changes: Database references, Derived calculations, Structure summary - Version 1.5: 2024-02-21
Changes: Data collection, Database references
