Enzymatic 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 
- DOI: https://doi.org/10.1039/D3CY00366C
Experimental Data Snapshot
Starting Model: in silico
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(2023) Catal Sci Technol 
Entity ID: 1 | |||||
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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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Ligands 2 Unique | |||||
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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 |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 145.987 | α = 90 |
b = 84.221 | β = 133.93 |
c = 102.356 | γ = 90 |
Software Name | Purpose |
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PHENIX | refinement |
XDS | data reduction |
Aimless | data scaling |
PHASER | phasing |
Funding Organization | Location | Grant Number |
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Ministry of Science and Technology (MoST, China) | China | 2018YFA0901900 |