9TAR

De novo photoenzyme variant ABLE-E116C-TXT H49A-L42T (photoABLE1 precursor) in complex with product formed in crystallo after irradiation

This is a non-PDB format compatible entry.

Summary for 9TAR

• Entry DOI: 10.2210/pdb9tar/pdb
• Descriptor: De novo photoenzyme variant ABLE, (1R,10S,12S)-15-oxa-3-azatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one, 1-(9-oxidanylidenethioxanthen-2-yl)pyrrolidine-2,5-dione, ... (7 entities in total)
• Functional Keywords: photoenzym, de novo protein scaffold, thioxanthon, [2+2] photocycloaddition, de novo protein
• Biological source: synthetic construct
• Total number of polymer chains: 2
• Total formula weight: 28778.30

Authors

Boesen, B.,Heider, A.,O'Shea, J.M.,Groll, M.,Bach, T.,Zeymer, C. (deposition date: 2025-11-18, release date: 2026-03-25)

• Primary citation: Boesen, B.,Heider, A.,O’Shea, J.M.,Groll, M.,Bach, T.,Zeymer, C.; Enantiodivergent Evolution of a De Novo Protein for Enzymatic [2 + 2] Photocycloaddition Activity; ACS Catal., 2026; DOI: 10.1021/acscatal.5c08946

Experimental method

X-RAY DIFFRACTION (1.5 Å)