4UM1
Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573
- PDB DOI: https://doi.org/10.2210/pdb4UM1/pdb
- Classification: SIGNALING PROTEIN
- Organism(s): Lymnaea stagnalis
- Expression System: Spodoptera frugiperda
- Mutation(s): Yes 
- Deposited: 2014-05-14 Released: 2015-07-22 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.83 Å
- R-Value Free: 0.231 
- R-Value Work: 0.193 
- R-Value Observed: 0.195 
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 |
ACETYLCHOLINE-BINDING PROTEIN | 229 | Lymnaea stagnalis | Mutation(s): 3  | ||
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 | |||||
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Small Molecules
Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
09P Query on 09P | F [auth A], G [auth B], H [auth C], I [auth D], K [auth E] | 1-(5-ethoxypyridin-3-yl)-1,4-diazepane C12 H19 N3 O RQXFSCANOMMTFZ-UHFFFAOYSA-N | |||
NAG Query on NAG | J [auth D] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.83 Å
- R-Value Free: 0.231 
- R-Value Work: 0.193 
- R-Value Observed: 0.195 
- Space Group: P 21 21 2
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 77.328 | α = 90 |
b = 123.104 | β = 90 |
c = 127.45 | γ = 90 |
Software Name | Purpose |
---|---|
PHENIX | refinement |
XDS | data reduction |
SCALA | data scaling |
PHASER | phasing |
Entry History 
Deposition Data
- Released Date: 2015-07-22  Deposition Author(s): Shahsavar, A., Kastrup, J.S., Balle, T., Gajhede, M.
Revision History (Full details and data files)
- Version 1.0: 2015-07-22
Type: Initial release - Version 1.1: 2015-07-29
Changes: Database references - Version 1.2: 2015-09-02
Changes: Database references - Version 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Other, Structure summary - Version 1.4: 2024-01-10
Changes: Data collection, Database references, Refinement description, Structure summary