1KXH
Crystal structure of the complex between an inactive mutant of psychrophilic alpha-amylase (D174N) and acarbose
- PDB DOI: https://doi.org/10.2210/pdb1KXH/pdb
- Classification: HYDROLASE
- Organism(s): Pseudoalteromonas haloplanktis
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2002-01-31 Released: 2002-06-19
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.188
- R-Value Work: 0.138
wwPDB Validation 3D Report Full Report
This is version 2.2 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 | 448 | Pseudoalteromonas haloplanktis | Mutation(s): 1 EC: 3.2.1.1 |  | |
UniProt | |||||
Find proteins for P29957 (Pseudoalteromonas haloplanktis) Explore P29957 Go to UniProtKB: P29957 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P29957 | ||||
Sequence AnnotationsExpand | |||||
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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 | 3 | N/A | N/A | |
Glycosylation Resources | |||||
GlyTouCan: G66431MI GlyCosmos: G66431MI | |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CA Query on CA | C [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| CL Query on CL | D [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
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 | alpha-acarbose | Oligosaccharide / Inhibitor |  | |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.188
- R-Value Work: 0.138
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 71.1 | α = 90 |
| b = 139.9 | β = 90 |
| c = 115.3 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALA | data scaling |
| X-PLOR | model building |
| X-PLOR | refinement |
| CCP4 | data scaling |
| X-PLOR | phasing |
Entry History
Deposition Data
- Released Date: 2002-06-19 Deposition Author(s): Aghajari, N., Haser, R.
Revision History (Full details and data files)
- Version 1.0: 2002-06-19
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: 2021-10-27
Changes: Database references, Structure summary - Version 2.2: 2023-08-16
Changes: Data collection, Refinement description
