8GU0
Crystal structure of a fungal halogenase RadH
Summary for 8GU0
| Entry DOI | 10.2210/pdb8gu0/pdb |
| Descriptor | Non-heme halogenase radH, FLAVIN-ADENINE DINUCLEOTIDE, TETRAETHYLENE GLYCOL, ... (5 entities in total) |
| Functional Keywords | flavin-dependent halogenase enzyme, flavoprotein |
| Biological source | Floropilus chiversii |
| Total number of polymer chains | 2 |
| Total formula weight | 116011.77 |
| Authors | Jiang, S.M.,Brown, C.J. (deposition date: 2022-09-09, release date: 2023-07-26, Last modification date: 2024-05-29) |
| Primary citation | Peh, G.,Gunawan, G.A.,Tay, T.,Tiong, E.,Tan, L.L.,Jiang, S.,Goh, Y.L.,Ye, S.,Wong, J.,Brown, C.J.,Zhao, H.,Ang, E.L.,Wong, F.T.,Lim, Y.H. Further Characterization of Fungal Halogenase RadH and Its Homologs. Biomolecules, 13:-, 2023 Cited by PubMed Abstract: RadH is one of the flavin-dependent halogenases that has previously exhibited promising catalytic activity towards hydroxycoumarin, hydroxyisoquinoline, and phenolic derivatives. Here, we evaluated new functional homologs of RadH and expanded its specificities for the halogenation of non-tryptophan-derived, heterocyclic scaffolds. Our investigation revealed that RadH could effectively halogenate hydroxyquinoline and hydroxybenzothiophene. Assay optimization studies revealed the need to balance the various co-factor concentrations and where a GDHi co-factor recycling system most significantly improves the conversion and efficiency of the reaction. A crystal structure of RadH was also obtained with a resolution of 2.4 Å, and docking studies were conducted to pinpoint the binding and catalytic sites for substrates. PubMed: 37509117DOI: 10.3390/biom13071081 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.42 Å) |
Structure validation
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