5EHX
Crystal structure of MSF-aged Torpedo californica Acetylcholinesterase
- PDB DOI: https://doi.org/10.2210/pdb5EHX/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: 0.237 
- R-Value Work: 0.198 
- R-Value Observed: 0.200 
This is version 3.1 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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Oligosaccharides
Small Molecules
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
AE4 Query on AE4 | F [auth A] | 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL C12 H26 O6 NJRFAMBTWHGSDE-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 (Subject of Investigation/LOI) 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: 0.237 
- R-Value Work: 0.198 
- R-Value Observed: 0.200 
- Space Group: P 31 2 1
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 112.27 | α = 90 |
b = 112.27 | β = 90 |
c = 136.84 | 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
Type: Coordinate replacement
Reason: Model orientation/position
Changes: Atomic model, Author supporting evidence, Data collection, Database references, Derived calculations, Other, Refinement description, Structure summary - Version 3.1: 2024-01-10
Changes: Data collection, Database references, Refinement description