Download MendeleyCrystal structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa bound to acetate
Clifton, B.E., Kaczmarski, J.A., Carr, P.D., Jackson, C.J.To be published.
5HPQ
Crystal structure of cyclohexadienyl dehydratase from Pseudomonas aeruginosa bound to acetate
- PDB DOI: https://doi.org/10.2210/pdb5HPQ/pdb
- Classification: LYASE
- Organism(s): Pseudomonas aeruginosa PAO1
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2016-01-20 Released: 2017-01-25
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.05 Å
- R-Value Free: 0.241
- R-Value Work: 0.176
- R-Value Observed: 0.179
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 1.3 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 |
| Cyclohexadienyl dehydratase | 255 | Pseudomonas aeruginosa PAO1 | Mutation(s): 0 Gene Names: pheC, PA3475 EC: 4.2.1.51 (PDB Primary Data), 4.2.1.91 (PDB Primary Data) |  | |
UniProt | |||||
Find proteins for Q01269 (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)) Explore Q01269 Go to UniProtKB: Q01269 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q01269 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ACT Query on ACT | B [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.05 Å
- R-Value Free: 0.241
- R-Value Work: 0.176
- R-Value Observed: 0.179
- Space Group: H 3
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 124.89 | α = 90 |
| b = 124.89 | β = 90 |
| c = 40.63 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| iMOSFLM | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2017-01-25 Deposition Author(s): Clifton, B.E., Carr, P.D., Jackson, C.J.
Revision History (Full details and data files)
- Version 1.0: 2017-01-25
Type: Initial release - Version 1.1: 2017-04-12
Changes: Database references - Version 1.2: 2023-09-27
Changes: Data collection, Database references, Refinement description - Version 1.3: 2024-11-20
Changes: Structure summary
