2WLS
Crystal structure of Mus musculus Acetylcholinesterase in complex with AMTS13
- PDB DOI: https://doi.org/10.2210/pdb2WLS/pdb
- Classification: HYDROLASE
- Organism(s): Mus musculus
- Expression System: Homo sapiens
- Mutation(s): No
- Deposited: 2009-06-25 Released: 2009-09-08
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.226
- R-Value Work: 0.185
- R-Value Observed: 0.186
wwPDB Validation 3D Report Full Report
Currently 2WLS does not have a validation slider image.
This is version 1.6 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 | Mus musculus | Mutation(s): 0 EC: 3.1.1.7 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P21836 (Mus musculus) Explore P21836 Go to UniProtKB: P21836 | |||||
IMPC: MGI:87876 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P21836 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| X13 Query on X13 | E [auth A], F [auth B] | N,N,N-trimethyl-13-[(methylsulfonyl)sulfanyl]tridecan-1-aminium C17 H38 N O2 S2 HCQJSWUFRMNETG-UHFFFAOYSA-N |  | ||
| P6G Query on P6G | H [auth B] | HEXAETHYLENE GLYCOL C12 H26 O7 IIRDTKBZINWQAW-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 |  | ||
| PEG Query on PEG | G [auth B] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.226
- R-Value Work: 0.185
- R-Value Observed: 0.186
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 78.48 | α = 90 |
| b = 110.305 | β = 90 |
| c = 227.604 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| SCALA | data scaling |
| REFMAC | phasing |
Structure Validation
Currently 2WLS does not have a validation slider image.
Entry History
Deposition Data
- Released Date: 2009-09-08 Deposition Author(s): Pang, Y.P., Ekstrom, F., Polsinelli, G.A., Gao, Y., Rana, S., Hua, D.H., Andersson, B., Andersson, P.O., Peng, L., Singh, S.K., Mishra, R.K., Zhu, K.Y., Fallon, A.M., Ragsdale, D.W., Brimijoin, S.
Revision History (Full details and data files)
- Version 1.0: 2009-09-08
Type: Initial release - Version 1.1: 2011-05-08
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2018-01-17
Changes: Data collection - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Other, Structure summary - Version 1.5: 2021-05-12
Changes: Derived calculations, Structure summary - Version 1.6: 2023-12-13
Changes: Data collection, Database references, Refinement description
