9JHA
X-ray structure of the Haloalkane dehalogenase HaloTag7 labeled with BD626-HTL substrate
This is a non-PDB format compatible entry.
Summary for 9JHA
| Entry DOI | 10.2210/pdb9jha/pdb |
| Descriptor | HaloTag, 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[10,10-dimethyl-3-[(1~{R},5~{S})-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]-6-[(1~{R},5~{S})-3-oxa-8-azoniabicyclo[3.2.1]octan-8-ylidene]anthracen-9-yl]benzoic acid, 1,2-ETHANEDIOL, ... (5 entities in total) |
| Functional Keywords | halotag, dye, fluorescence, hydrolase |
| Biological source | Rhodococcus sp. #1 |
| Total number of polymer chains | 1 |
| Total formula weight | 34371.19 |
| Authors | Zhixing, C.,Kecheng, Z. (deposition date: 2024-09-09, release date: 2025-01-01, Last modification date: 2025-06-25) |
| Primary citation | Zhang, J.,Zhang, K.,Wang, K.,Wang, B.,Zhu, S.,Qian, H.,Ma, Y.,Zhang, M.,Liu, T.,Chen, P.,Shen, Y.,Fu, Y.,Fang, S.,Zhang, X.,Zou, P.,Deng, W.,Mu, Y.,Chen, Z. A palette of bridged bicycle-strengthened fluorophores. Nat.Methods, 22:1276-1287, 2025 Cited by PubMed Abstract: Organic fluorophores are the keystone of advanced biological imaging. The vast chemical space of fluorophores has been extensively explored in search of molecules with ideal properties. However, within the current molecular constraints, there appears to be a trade-off between high brightness, robust photostability, and tunable biochemical properties. Herein we report a general strategy to systematically boost the performance of donor-acceptor-type fluorophores, such as rhodamines, by leveraging SO and O-substituted azabicyclo[3.2.1] octane auxochromes. These bicyclic heterocycles give rise to a collection of 'bridged' dyes (BD) spanning the ultraviolet and visible range with top-notch quantum efficiencies, enhanced water solubility, and tunable cell-permeability. Notably, these azabicyclic fluorophores showed remarkable photostability compared to their tetramethyl or azetidine analogs while being completely resistant to oxidative photoblueing. Functionalized BD dyes are tailored for applications in single-molecule imaging, super-resolution imaging (STED and SIM) in fixed or live mammalian and plant cells, and live zebrafish imaging and chemogenetic voltage imaging. PubMed: 40389608DOI: 10.1038/s41592-025-02693-4 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.7 Å) |
Structure validation
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