Download MendeleyThe Ligand-Bound Structures of the Aoc2 from A. Thaliana and the Implications for the Catalytic Mechanism
Terlecka, B.A., Pollmann, S., Hofmann, E.To be published.
4CQ6
The crystal structure of the allene oxide cyclase 2 from Arabidopsis thaliana with bound inhibitor - vernolic acid
- PDB DOI: https://doi.org/10.2210/pdb4CQ6/pdb
- Classification: ISOMERASE
- Organism(s): Arabidopsis thaliana
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2014-02-11 Released: 2015-03-04
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 ?
- R-Value Free: 0.159
- R-Value Work: 0.131
- R-Value Observed: 0.132
Starting Model: experimental
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This is version 2.1 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 |
| ALLENE OXIDE CYCLASE 2, CHLOROPLASTIC | 188 | Arabidopsis thaliana | Mutation(s): 0 EC: 5.3.99.6 |  | |
UniProt | |||||
Find proteins for Q9LS02 (Arabidopsis thaliana) Explore Q9LS02 Go to UniProtKB: Q9LS02 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9LS02 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| T25 Query on T25 | F [auth B], G [auth C] | (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid C18 H32 O3 CCPPLLJZDQAOHD-BEBBCNLGSA-N |  | ||
| MRD Query on MRD | D [auth A] | (4R)-2-METHYLPENTANE-2,4-DIOL C6 H14 O2 SVTBMSDMJJWYQN-RXMQYKEDSA-N |  | ||
| PO4 Query on PO4 | E [auth A] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 ?
- R-Value Free: 0.159
- R-Value Work: 0.131
- R-Value Observed: 0.132
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 64.6 | ¦Á = 90 |
| b = 99.9 | ¦Â = 90 |
| c = 106.3 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2015-03-04 Deposition Author(s): Terlecka, B.A., Pollmann, S., Hofmann, E.
Revision History (Full details and data files)
- Version 1.0: 2015-03-04
Type: Initial release - Version 2.0: 2019-10-23
Changes: Atomic model, Data collection, Other - Version 2.1: 2023-12-20
Changes: Data collection, Database references, Derived calculations, Refinement description
