2XGB
Crystal structure of Barley Beta-Amylase complexed with 2,3- epoxypropyl-alpha-D-glucopyranoside
- PDB DOI: https://doi.org/10.2210/pdb2XGB/pdb
- Classification: HYDROLASE
- Organism(s): Hordeum vulgare
- Mutation(s): No
- Deposited: 2010-06-02 Released: 2010-12-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.20 Å
- R-Value Free: 0.141
- R-Value Work: 0.117
- R-Value Observed: 0.118
This is version 1.5 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 |
| BETA-AMYLASE | 535 | Hordeum vulgare | Mutation(s): 0 EC: 3.2.1.2 |  | |
UniProt | |||||
Find proteins for P16098 (Hordeum vulgare) Explore P16098 Go to UniProtKB: P16098 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P16098 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| EPG Query on EPG | B [auth A] | (2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside C9 H16 O7 NXJZWOCFSMYDAS-NZJLWHDDSA-N |  | ||
| EDO Query on EDO | C [auth A], D [auth A], E [auth A], F [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.20 Å
- R-Value Free: 0.141
- R-Value Work: 0.117
- R-Value Observed: 0.118
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 68.622 | α = 90 |
| b = 71.068 | β = 90 |
| c = 92.309 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2010-12-01 Deposition Author(s): Rejzek, M., Stevenson, C.E.M., Southard, A.M., Stanley, D., Denyer, K., Smith, A.M., Naldrett, M.J., Lawson, D.M., Field, R.A.
Revision History (Full details and data files)
- Version 1.0: 2010-12-01
Type: Initial release - Version 1.1: 2012-01-11
Changes: Database references - Version 1.2: 2019-05-08
Changes: Data collection, Derived calculations, Experimental preparation, Other - Version 1.3: 2019-05-22
Changes: Data collection, Experimental preparation - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Other, Structure summary - Version 1.5: 2023-12-20
Changes: Data collection, Database references, Refinement description, Structure summary
