1ESW
X-RAY STRUCTURE OF ACARBOSE BOUND TO AMYLOMALTASE FROM THERMUS AQUATICUS. IMPLICATIONS FOR THE SYNTHESIS OF LARGE CYCLIC GLUCANS
- PDB DOI: https://doi.org/10.2210/pdb1ESW/pdb
- Classification: TRANSFERASE
- Organism(s): Thermus aquaticus
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2000-04-11 Released: 2001-04-11
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.219
- R-Value Work: 0.192
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 |
| AMYLOMALTASE | 500 | Thermus aquaticus | Mutation(s): 0 EC: 2.4.1.25 |  | |
UniProt | |||||
Find proteins for O87172 (Thermus thermophilus) Explore O87172 Go to UniProtKB: O87172 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O87172 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Oligosaccharides
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
| 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | B, C | 3 | N/A | N/A | |
Glycosylation Resources | |||||
GlyTouCan: G66431MI GlyCosmos: G66431MI | |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| EDO Query on EDO | D [auth A], E [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_900007 Query on PRD_900007 | B, C | alpha-acarbose | Oligosaccharide / Inhibitor |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.219
- R-Value Work: 0.192
- Space Group: P 64
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 154 | α = 90 |
| b = 154 | β = 90 |
| c = 64.2 | γ = 120 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2001-04-11 Deposition Author(s): Przylas, I., Terada, Y., Fujii, K., Takaha, T., Saenger, W., Straeter, N.
Revision History (Full details and data files)
- Version 1.0: 2001-04-11
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Non-polymer description, Structure summary - Version 2.1: 2024-02-07
Changes: Data collection, Database references, Structure summary
