Download MendeleySingle Active Site Mutations Change the Specificity of a Sesquiterpene Cyclase
Starks, C.S., Rising, K.A., Chappell, J., Noel, J.P.To be published.
1HXA
CRYSTAL STRUCTURE OF TEAS W273S FORM 2
- PDB DOI: https://doi.org/10.2210/pdb1HXA/pdb
- Classification: LYASE
- Organism(s): Nicotiana tabacum
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2001-01-12 Released: 2003-06-24
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.32 Å
- R-Value Free: 0.246
- R-Value Work: 0.225
- R-Value Observed: 0.225
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 |
| 5-EPI-ARISTOLOCHENE SYNTHASE | 548 | Nicotiana tabacum | Mutation(s): 1 EC: 4.1.99.7 |  | |
UniProt | |||||
Find proteins for Q40577 (Nicotiana tabacum) Explore Q40577 Go to UniProtKB: Q40577 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q40577 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FHP Query on FHP | E [auth A] | 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID C15 H27 O4 P MONZTFSZTWQCKH-UBHHKXJDSA-N |  | ||
| MG Query on MG | B [auth A], C [auth A], D [auth A] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.32 Å
- R-Value Free: 0.246
- R-Value Work: 0.225
- R-Value Observed: 0.225
- Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 125.65 | α = 90 |
| b = 125.65 | β = 90 |
| c = 119.95 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MACSCIENCE | data collection |
| SCALEPACK | data scaling |
| CNS | refinement |
| MACSCIENCE | data reduction |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2003-06-24 Deposition Author(s): Starks, C.S., Rising, K.A., Chappell, J., Noel, J.P.
Revision History (Full details and data files)
- Version 1.0: 2003-06-24
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2021-10-27
Changes: Database references, Derived calculations - Version 1.4: 2023-08-09
Changes: Data collection, Refinement description
