8J1O

Crystal structure of HaloTag complexed with BTTA

Summary for 8J1O

• Entry DOI: 10.2210/pdb8j1o/pdb
• Descriptor: Haloalkane dehalogenase, N-[[1-[2-[2-(2-hexoxyethoxy)ethoxy]ethyl]-1,2,3-triazol-4-yl]methyl]-1-(1H-1,2,3-triazol-4-yl)-N-(2H-1,2,3-triazol-4-ylmethyl)methanamine, CHLORIDE ION, ... (5 entities in total)
• Functional Keywords: complex, hydrolase
• Biological source: Rhodococcus sp. (in: high G+C Gram-positive bacteria)
• Total number of polymer chains: 1
• Total formula weight: 33893.10

Authors

Kim, H.,Rhee, H.,Lee, C. (deposition date: 2023-04-13, release date: 2024-04-17, Last modification date: 2025-10-29)

Primary citation

Mishra, P.K.,Sharma, N.,Kim, H.,Lee, C.,Rhee, H.W.
GEN-Click: Genetically Encodable Click Reactions for Spatially Restricted Metabolite Labeling.
Acs Cent.Sci., 9:1650-1657, 2023

PubMed Abstract: Chemical reactions for the modification of biomolecules within living cells are under development. Among these reactions, bio-orthogonal reactions such as click chemistry using copper(I) and Staudinger ligation are widely used for specific biomolecule tracking in live systems. However, currently available live cell copper(I)-catalyzed azide/alkyne cycloaddition reactions are not designed in a spatially resolved manner. Therefore, we developed the "GEN-Click" system, which can target the copper(I)-catalyzed azide/alkyne cycloaddition reaction catalysts proximal to the protein of interest and can be genetically expressed in a live cell. The genetically controlled, spatially restricted, metal-catalyzed biorthogonal reaction can be used for proximity biotin labeling of various azido-bearing biomolecules (e.g., protein, phospholipid, oligosaccharides) in living cell systems. Using GEN-Click, we successfully detected local metabolite-transferring events at cell-cell contact sites.

PubMed: 37637744
DOI: 10.1021/acscentsci.3c00511

Experimental method

X-RAY DIFFRACTION (1.991 Å)