4DBM
Aplysia californica-AChBP in complex with triazole 18
- PDB DOI: https://doi.org/10.2210/pdb4DBM/pdb
- Classification: ACETYLCHOLINE-BINDING PROTEIN
- Organism(s): Aplysia californica
- Expression System: Homo sapiens
- Mutation(s): No
- Deposited: 2012-01-16 Released: 2012-03-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.252
- R-Value Work: 0.194
- R-Value Observed: 0.196
This is version 2.1 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 |
| Soluble acetylcholine receptor | 230 | Aplysia californica | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for Q8WSF8 (Aplysia californica) Explore Q8WSF8 Go to UniProtKB: Q8WSF8 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8WSF8 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Oligosaccharides
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
| alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | F | 5 |  | N-Glycosylation | |
Glycosylation Resources | |||||
GlyTouCan: G22768VO GlyCosmos: G22768VO GlyGen: G22768VO | |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 0J0 Query on 0J0 | H [auth A], I [auth B], J [auth C], K [auth D], L [auth E] | (3-exo)-8,8-dimethyl-3-(4-{[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]methyl}-1H-1,2,3-triazol-1-yl)-8-azoniabicyclo[3.2.1]octane C22 H28 N5 O2 YGBMUEMPFNRGJC-NNZMDNLPSA-N |  | ||
| NAG Query on NAG | G [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.252
- R-Value Work: 0.194
- R-Value Observed: 0.196
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 88.338 | α = 90 |
| b = 115.097 | β = 90 |
| c = 131.379 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| ccp4: | model building |
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| CCP4: | phasing |
Entry History
Deposition Data
- Released Date: 2012-03-21 Deposition Author(s): Nemecz, A., Yamauchi, J.G., Kim, C.
Revision History (Full details and data files)
- Version 1.0: 2012-03-21
Type: Initial release - Version 1.1: 2012-06-13
Changes: Database references - Version 1.2: 2018-01-31
Changes: Advisory, Database references - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Atomic model, Data collection, Database references, Derived calculations, Structure summary - Version 2.1: 2023-09-13
Changes: Advisory, Data collection, Database references, Refinement description, Structure summary
