3BSH
Barley alpha-amylase isozyme 1 (AMY1) double mutant Y105A/Y380A in complex with inhibitor acarbose
- PDB DOI: https://doi.org/10.2210/pdb3BSH/pdb
- Classification: HYDROLASE
- Organism(s): Hordeum vulgare
- Expression System: Komagataella pastoris
- Mutation(s): Yes
- Deposited: 2007-12-24 Released: 2008-08-26
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.00 Å
- R-Value Free: 0.268
- R-Value Work: 0.197
- R-Value Observed: 0.197
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 |
| Alpha-amylase type A isozyme | 414 | Hordeum vulgare | Mutation(s): 2 EC: 3.2.1.1 |  | |
UniProt | |||||
Find proteins for P00693 (Hordeum vulgare) Explore P00693 Go to UniProtKB: P00693 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P00693 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| BGC Query on BGC | B [auth A] | beta-D-glucopyranose C6 H12 O6 WQZGKKKJIJFFOK-VFUOTHLCSA-N |  | ||
| CA Query on CA | C [auth A], D [auth A], E [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.00 Å
- R-Value Free: 0.268
- R-Value Work: 0.197
- R-Value Observed: 0.197
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 99.5 | α = 90 |
| b = 72.1 | β = 90 |
| c = 60.8 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| ADSC | data collection |
| XDS | data reduction |
| XSCALE | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2008-08-26 Deposition Author(s): Aghajari, N., Robert, X., Haser, R.
Revision History (Full details and data files)
- Version 1.0: 2008-08-26
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.3: 2021-11-10
Changes: Database references, Structure summary - Version 1.4: 2023-11-01
Changes: Data collection, Refinement description
