Download MendeleyStructural Investigations of the Basis for Stereoselectivity from the Binary Complex of HMG-CoA Reductase.
Watson, J.M., Steussy, C.N., Burgner, J.W., Lawrence, C.M., Tabernero, L., Rodwell, V.W., Stauffacher, C.V.To be published.
1R31
HMG-CoA reductase from Pseudomonas mevalonii complexed with HMG-CoA
- PDB DOI: https://doi.org/10.2210/pdb1R31/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Pseudomonas sp. 'mevalonii
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2003-09-30 Released: 2003-10-14
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.241
- R-Value Work: 0.220
- R-Value Observed: 0.222
This is version 1.4 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 |
| 3-hydroxy-3-methylglutaryl-coenzyme A reductase | 428 | Pseudomonas sp. 'mevalonii | Mutation(s): 0 Gene Names: MVAA EC: 1.1.1.88 |  | |
UniProt | |||||
Find proteins for P13702 (Pseudomonas mevalonii) Explore P13702 Go to UniProtKB: P13702 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P13702 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| COA Query on COA | D [auth A] | COENZYME A C21 H36 N7 O16 P3 S RGJOEKWQDUBAIZ-IBOSZNHHSA-N |  | ||
| MEV Query on MEV | E [auth A], G [auth B] | (R)-MEVALONATE C6 H11 O4 KJTLQQUUPVSXIM-ZCFIWIBFSA-M |  | ||
| SO4 Query on SO4 | C [auth A], F [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.241
- R-Value Work: 0.220
- R-Value Observed: 0.222
- Space Group: I 41 3 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 227.369 | α = 90 |
| b = 227.369 | β = 90 |
| c = 227.369 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2003-10-14 Deposition Author(s): Watson, J.M., Steussy, C.N., Burgner, J.W., Lawrence, C.M., Tabernero, L., Rodwell, V.W., Stauffacher, C.V.
Revision History (Full details and data files)
- Version 1.0: 2003-10-14
Type: Initial release - Version 1.1: 2008-04-29
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2024-02-14
Changes: Data collection, Database references, Derived calculations - Version 1.4: 2024-04-03
Changes: Refinement description
