6G4M
Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 1
- PDB DOI: https://doi.org/10.2210/pdb6G4M/pdb
- Classification: HYDROLASE
- Organism(s): Tetronarce californica
- Mutation(s): No
- Deposited: 2018-03-28 Released: 2018-08-29
- Funding Organization(s): French National Research Agency
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.63 Å
- R-Value Free: 0.265
- R-Value Work: 0.191
- R-Value Observed: 0.195
This is version 2.2 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 | 537 | 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 | |
| DQ5 Query on DQ5 | C [auth A], D [auth A], H [auth B], I [auth B] | 2-[(~{E})-hydroxyiminomethyl]-6-[4-(1,2,3,4-tetrahydroacridin-9-ylamino)butyl]pyridin-3-ol C23 H26 N4 O2 WBLSVMZKFSZDDW-MFKUBSTISA-N |  | ||
| NAG Query on NAG | E [auth A], F [auth A], J [auth B], K [auth B] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| CL Query on CL | G [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.63 Å
- R-Value Free: 0.265
- R-Value Work: 0.191
- R-Value Observed: 0.195
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 91.276 | α = 90 |
| b = 106.24 | β = 90 |
| c = 150.456 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2018-08-29 Deposition Author(s): Santoni, G., De la Mora, E., de Souza, J., Silman, I., Sussman, J., Baati, R., Weik, M., Nachon, F.
| Funding Organization | Location | Grant Number |
|---|---|---|
| French National Research Agency | France | ReAChE |
Revision History (Full details and data files)
- Version 1.0: 2018-08-29
Type: Initial release - Version 1.1: 2018-09-26
Changes: Data collection, Database references - Version 2.0: 2019-05-01
Changes: Advisory, Atomic model, Data collection, Database references, Derived calculations, Polymer sequence, Source and taxonomy, Structure summary - Version 2.1: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 2.2: 2024-01-17
Changes: Data collection, Database references, Refinement description, Structure summary
