3M3D
Crystal structure of Acetylcholinesterase in complex with Xenon
- PDB DOI: https://doi.org/10.2210/pdb3M3D/pdb
- Classification: HYDROLASE
- Organism(s): Tetronarce californica
- Mutation(s): No
- Deposited: 2010-03-09 Released: 2011-03-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.34 Å
- R-Value Free: 0.200
- R-Value Work: 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 | |
| NAG Query on NAG | D [auth A], E [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| PG4 Query on PG4 | F [auth A] | TETRAETHYLENE GLYCOL C8 H18 O5 UWHCKJMYHZGTIT-UHFFFAOYSA-N |  | ||
| XE Query on XE | B [auth A], C [auth A] | XENON Xe FHNFHKCVQCLJFQ-UHFFFAOYSA-N |  | ||
| PEG Query on PEG | G [auth A] H [auth A] I [auth A] J [auth A] K [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.34 Å
- R-Value Free: 0.200
- R-Value Work: 0.190
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 111.769 | α = 90 |
| b = 111.769 | β = 90 |
| c = 137.232 | γ = 120 |
| Software Name | Purpose |
|---|---|
| MAR345dtb | data collection |
| HKL2Map | model building |
| SHELXL-97 | refinement |
| XDS | data reduction |
| XDS | data scaling |
| SHELX | phasing |
Entry History
Deposition Data
- Released Date: 2011-03-09 Deposition Author(s): Behnen, J., Brumshtein, B., Toker, L., Silman, I., Sussman, J.L., Klebe, G., Heine, A.
Revision History (Full details and data files)
- Version 1.0: 2011-03-09
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2017-11-08
Changes: Refinement description - Version 1.3: 2018-01-24
Changes: Structure summary - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary
