6KBC

Crystal structure of CghA with Sch210972

Summary for 6KBC

• Entry DOI: 10.2210/pdb6kbc/pdb
• Descriptor: CghA, (2S)-3-[(2S,4E)-4-[[(1R,2S,4aR,6S,8R,8aS)-2-[(E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-oxidanyl-methylidene]-3,5-bis(oxidanylidene)pyrrolidin-2-yl]-2-methyl-2-oxidanyl-propanoic acid (3 entities in total)
• Functional Keywords: diels-alderase, unknown function
• Biological source: Chaetomium globosum (strain ATCC 6205 / CBS 148.51 / DSM 1962 / NBRC 6347 / NRRL 1970) (Soil fungus)
• Total number of polymer chains: 1
• Total formula weight: 44610.54

Authors

Hara, K.,Hashimoto, H.,Maeda, N.,Sato, M.,Watanabe, K. (deposition date: 2019-06-24, release date: 2020-06-24, Last modification date: 2023-11-22)

• Primary citation: Sato, M.,Kishimoto, S.,Yokoyama, M.,Jamieson, C.S.,Narita, K.,Maeda, N.,Hara, K.,Hashimoto, H.,Tsunematsu, Y.,Houk, K.N.,Tang, Y.,Watanabe, K.; Catalytic mechanism and endo-to-exo selectivity reversion of an octalin-forming natural Diels-Alderase; Nat Catal, 2021; DOI: 10.1038/s41929-021-00577-2

Experimental method

X-RAY DIFFRACTION (1.99 Å)