7S3J
Crystal Structure of AspB P450 in complex with brevianamide F substrates
Summary for 7S3J
| Entry DOI | 10.2210/pdb7s3j/pdb |
| Descriptor | AspB, PROTOPORPHYRIN IX CONTAINING FE, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, ... (5 entities in total) |
| Functional Keywords | cytochrome p450, natural products, diketopiperazine, dimerase, biosynthetic protein |
| Biological source | Streptomyces sp. NRRL S-1868 |
| Total number of polymer chains | 2 |
| Total formula weight | 90011.41 |
| Authors | Newmister, S.A.,Shende, V.V.,Harris, N.R.,Sanders, J.N.,Khatri, Y.,Movassaghi, M.,Houk, K.N.,Sherman, D.H. (deposition date: 2021-09-07, release date: 2022-11-09, Last modification date: 2023-10-25) |
| Primary citation | Shende, V.V.,Harris, N.R.,Sanders, J.N.,Newmister, S.A.,Khatri, Y.,Movassaghi, M.,Houk, K.N.,Sherman, D.H. Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases. Angew.Chem.Int.Ed.Engl., 62:e202210254-e202210254, 2023 Cited by PubMed: 36610039DOI: 10.1002/anie.202210254 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.94 Å) |
Structure validation
Download full validation report
