Download MendeleyMSF-AGED TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH BISTACRINE
Pesaresi, A., Lamba, D.To be published.
5EI5
Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase in complex with alkylene-linked bis-tacrine dimer (7 carbon linker)
- PDB DOI: https://doi.org/10.2210/pdb5EI5/pdb
- Classification: HYDROLASE
- Organism(s): Tetronarce californica
- Mutation(s): No
- Deposited: 2015-10-29 Released: 2016-11-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.206
- R-Value Work: 0.173
- R-Value Observed: 0.175
This is version 3.1 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 |
| Acetylcholinesterase | 534 | 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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Oligosaccharides
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AA7 Query on AA7 | F [auth A] | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLHEPTANE-1,7-DIAMINE C33 H40 N4 ITZOKHKOFJOBFS-UHFFFAOYSA-N |  | ||
| NAG Query on NAG | C [auth A], D [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| 03S Query on 03S | E [auth A] | methanesulfonic acid C H4 O3 S AFVFQIVMOAPDHO-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.206
- R-Value Work: 0.173
- R-Value Observed: 0.175
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 111.28 | α = 90 |
| b = 111.28 | β = 90 |
| c = 136.74 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2016-11-09 Deposition Author(s): Pesaresi, A., Lamba, D.
Revision History (Full details and data files)
- Version 1.0: 2016-11-09
Type: Initial release - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Derived calculations, Structure summary - Version 3.0: 2021-05-12
Changes: Atomic model, Data collection, Derived calculations, Structure summary - Version 3.1: 2024-01-10
Changes: Data collection, Database references, Refinement description
