1XH2
Structure of the N298S variant of human pancreatic alpha-amylase complexed with chloride and acarbose
- PDB DOI: https://doi.org/10.2210/pdb1XH2/pdb
- Classification: HYDROLASE
- Organism(s): Homo sapiens
- Expression System: Komagataella pastoris
- Mutation(s): Yes
- Deposited: 2004-09-17 Released: 2005-05-24
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.214
- R-Value Work: 0.156
wwPDB Validation 3D Report Full Report
This is version 2.3 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, pancreatic | 496 | Homo sapiens | Mutation(s): 1 EC: 3.2.1.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P04746 (Homo sapiens) Explore P04746 Go to UniProtKB: P04746 | |||||
PHAROS: P04746 GTEx: ENSG00000243480 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P04746 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ARE Query on ARE | C [auth A] | ACARBOSE DERIVED PENTASACCHARIDE C31 H53 N O23 JUCZMZWYUIRMPL-NPPSNIQKSA-N |  | ||
| NAG Query on NAG | B [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| CA Query on CA | D [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
| CL Query on CL | E [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| PCA Query on PCA | A | L-PEPTIDE LINKING | C5 H7 N O3 |  | GLN |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.20 Å
- R-Value Free: 0.214
- R-Value Work: 0.156
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 53.135 | α = 90 |
| b = 69.392 | β = 90 |
| c = 132.447 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| CNS | refinement |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2005-05-24 Deposition Author(s): Maurus, R., Begum, A., Kuo, H.H., Racaza, A., Numao, S., Overall, C.M., Withers, S.G., Brayer, G.D.
Revision History (Full details and data files)
- Version 1.0: 2005-05-24
Type: Initial release - Version 1.1: 2008-04-30
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 2.0: 2019-12-25
Changes: Database references, Derived calculations, Polymer sequence - Version 2.1: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 2.2: 2021-11-10
Changes: Database references, Structure summary - Version 2.3: 2023-10-25
Changes: Data collection, Refinement description
