6EWK
T. californica AChE in complex with a 3-hydroxy-2-pyridine aldoxime.
- PDB DOI: https://doi.org/10.2210/pdb6EWK/pdb
- Classification: HYDROLASE
- Organism(s): Tetronarce californica
- Mutation(s): No
- Deposited: 2017-11-04 Released: 2018-11-14
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.22 Å
- R-Value Free: 0.220
- R-Value Work: 0.177
- R-Value Observed: 0.178
This is version 1.2 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Acetylcholinesterase | 532 | Tetronarce californica | Mutation(s): 0 EC: 3.1.1.7 |  | |
UniProt | |||||
Find proteins for P04058 (Tetronarce californica) Explore P04058 Go to UniProtKB: P04058 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P04058 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| RM0 Query on RM0 | E [auth A] | 2-[(~{E})-hydroxyiminomethyl]-6-(5-morpholin-4-ylpentyl)pyridin-3-ol C15 H23 N3 O3 DHXJJCCCAIXLRS-FOWTUZBSSA-N |  | ||
| 1PE Query on 1PE | F [auth A], G [auth A], H [auth A] | PENTAETHYLENE GLYCOL C10 H22 O6 JLFNLZLINWHATN-UHFFFAOYSA-N |  | ||
| NAG Query on NAG | B [auth A], C [auth A], D [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.22 Å
- R-Value Free: 0.220
- R-Value Work: 0.177
- R-Value Observed: 0.178
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 111.52 | α = 90 |
| b = 111.52 | β = 90 |
| c = 136.64 | γ = 120 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2018-11-14 Deposition Author(s): de la Mora, E., Weik, M., Braiki, A., Mougeot, R., Jean, L., Renard, P.I.
Revision History (Full details and data files)
- Version 1.0: 2018-11-14
Type: Initial release - Version 1.1: 2019-05-29
Changes: Data collection, Database references - Version 1.2: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary
