2BAG
3D Structure of Torpedo californica acetylcholinesterase complexed with Ganstigmine
- PDB DOI: https://doi.org/10.2210/pdb2BAG/pdb
- Classification: HYDROLASE
- Organism(s): Tetronarce californica
- Mutation(s): No
- Deposited: 2005-10-14 Released: 2006-08-29
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.236
- R-Value Work: 0.190
- R-Value Observed: 0.190
This is version 1.4 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 | 543 | 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 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| GSG Query on GSG | E [auth A] | 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE C22 H27 N3 O3 MVHRCJQCKYPDRL-UHFFFAOYSA-N |  | ||
| 1PE Query on 1PE | D [auth A] | PENTAETHYLENE GLYCOL C10 H22 O6 JLFNLZLINWHATN-UHFFFAOYSA-N |  | ||
| NAG Query on NAG | B [auth A], C [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| MES Query on MES | F [auth A], G [auth A] | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID C6 H13 N O4 S SXGZJKUKBWWHRA-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.40 Å
- R-Value Free: 0.236
- R-Value Work: 0.190
- R-Value Observed: 0.190
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 111.736 | α = 90 |
| b = 111.736 | β = 90 |
| c = 136.824 | γ = 120 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| AMoRE | phasing |
| CNS | refinement |
Entry History
Deposition Data
- Released Date: 2006-08-29 Deposition Author(s): Lamba, D., Bartolucci, C., Siotto, M., Racchi, M., Villetti, G., Delcanale, M.
Revision History (Full details and data files)
- Version 1.0: 2006-08-29
Type: Initial release - Version 1.1: 2008-05-01
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Data collection, Derived calculations, Structure summary - Version 1.4: 2023-10-25
Changes: Advisory, Data collection, Database references, Refinement description, Structure summary
