2XFY
Crystal structure of Barley Beta-Amylase complexed with alpha- cyclodextrin
- PDB DOI: https://doi.org/10.2210/pdb2XFY/pdb
- Classification: HYDROLASE
- Organism(s): Hordeum vulgare
- Mutation(s): No 
- Deposited: 2010-05-28 Released: 2010-12-01 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.21 Å
- R-Value Free: 0.153 
- R-Value Work: 0.122 
- R-Value Observed: 0.124 
wwPDB Validation   3D Report Full Report
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 |
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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Oligosaccharides
Small Molecules
Ligands 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
EDO Query on EDO | C [auth A], D [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |
Biologically Interesting Molecules (External Reference) 1 Unique
Entity ID: 2 | |||||
---|---|---|---|---|---|
ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
PRD_900015 Query on PRD_900015 | B | alpha-cyclodextrin | Oligosaccharide / Drug delivery |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.21 Å
- R-Value Free: 0.153 
- R-Value Work: 0.122 
- R-Value Observed: 0.124 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 68.846 | α = 90 |
b = 71.466 | β = 90 |
c = 92.472 | 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, Refinement description, Version format compliance - Version 1.2: 2019-05-08
Changes: Data collection, Experimental preparation, Other - Version 1.3: 2019-05-22
Changes: Data collection, Experimental preparation - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Non-polymer description, Other, Structure summary - Version 2.1: 2023-12-20
Changes: Data collection, Database references, Refinement description, Structure summary