Download MendeleyEnzymatic hydrolysis on L-azetidine-2-carboxylate ring opening
Xu, X., Yang, Q., Wang, L., Zheng, J., Gu, Y., Xing, X.W., Zhou, J.(2023) Catal Sci Technol
8HP7
Crystal structure of (S)-2-haloacid dehalogenase K152A mutant trapped with (2R)-4-amino-2-hydroxybutanoic acid
- PDB DOI: https://doi.org/10.2210/pdb8HP7/pdb
- Classification: HYDROLASE
- Organism(s): Novosphingobium sp. MBES04
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2022-12-12 Released: 2023-06-21
- Funding Organization(s): Ministry of Science and Technology (MoST, China)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.43 Å
- R-Value Free: 0.211
- R-Value Work: 0.193
- R-Value Observed: 0.194
Starting Model: in silico
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This is version 2.1 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| (S)-2-haloacid dehalogenase | 289 | Novosphingobium sp. MBES04 | Mutation(s): 1 Gene Names: MBENS4_0996 EC: 3.8.1.2 |  | |
UniProt | |||||
Find proteins for A0A0S6WSA3 (Novosphingobium sp. MBES04) Explore A0A0S6WSA3 Go to UniProtKB: A0A0S6WSA3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A0S6WSA3 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ABU (Subject of Investigation/LOI) Query on ABU | D [auth A], E [auth B], F [auth C] | GAMMA-AMINO-BUTANOIC ACID C4 H9 N O2 BTCSSZJGUNDROE-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | G [auth C], H [auth C] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.43 Å
- R-Value Free: 0.211
- R-Value Work: 0.193
- R-Value Observed: 0.194
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 145.987 | α = 90 |
| b = 84.221 | β = 133.93 |
| c = 102.356 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
| Funding Organization | Location | Grant Number |
|---|---|---|
| Ministry of Science and Technology (MoST, China) | China | 2018YFA0901900 |
Revision History (Full details and data files)
- Version 1.0: 2023-06-21
Type: Initial release - Version 2.0: 2023-11-15
Changes: Atomic model, Data collection - Version 2.1: 2024-11-13
Changes: Structure summary
