Download MendeleyStructure-guided design and analysis of arylidene anabaseines and myosmines
Denton, T.T., Bobango, J., Talley, T.T.To be published.
4ZR6
Lymnaea Stagnalis Acetylcholine Binding Protein in Complex with 3-[(4E)-4-[(3-methylimidazol-4-yl)methylene]-2,3-dihydropyrrol-5-yl]pyridine
- PDB DOI: https://doi.org/10.2210/pdb4ZR6/pdb
- Classification: ACETYLCHOLINE BINDING PROTEIN
- Organism(s): Lymnaea stagnalis
- Expression System: Homo sapiens
- Mutation(s): No
- Deposited: 2015-05-11 Released: 2016-05-11
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.266
- R-Value Work: 0.210
- R-Value Observed: 0.213
This is version 1.1 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 |
| Acetylcholine-binding protein | 218 | Lymnaea stagnalis | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for P58154 (Lymnaea stagnalis) Explore P58154 Go to UniProtKB: P58154 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P58154 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 4QW Query on 4QW | F [auth A], G [auth B], H [auth C], I [auth D], J [auth E] | 3-{(4E)-4-[(1-methyl-1H-imidazol-5-yl)methylidene]-3,4-dihydro-2H-pyrrol-5-yl}pyridine C14 H14 N4 JNBFHHNJEVTWBO-YRNVUSSQSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.266
- R-Value Work: 0.210
- R-Value Observed: 0.213
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 68.924 | α = 90 |
| b = 78.1 | β = 102.32 |
| c = 120.502 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2016-05-11 Deposition Author(s): Bobango, J., Bryant, D., Denton, T.T., Talley, T.T.
Revision History (Full details and data files)
- Version 1.0: 2016-05-11
Type: Initial release - Version 1.1: 2023-09-27
Changes: Data collection, Database references, Derived calculations, Refinement description
