7S3T

NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V

Summary for 7S3T

Entry DOI	10.2210/pdb7s3t/pdb
Descriptor	NascB, PROTOPORPHYRIN IX CONTAINING FE, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, ... (6 entities in total)
Functional Keywords	cytochrome p450, diketopiperazine dimerase, natural products, biosynthetic protein
Biological source	Streptomyces sp.
Total number of polymer chains	1
Total formula weight	45165.08
Authors	Harris, N.R.,Shende, V.V.,Sanders, J.N.,Newmister, S.A.,Khatri, Y.,Movassaghi, M.,Houk, K.N.,Sherman, D.H. (deposition date: 2021-09-08, release date: 2022-10-05, Last modification date: 2023-11-15)
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., 2023 Cited by PubMed: 36610039 DOI: 10.1002/anie.202210254 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.4 Å)

Structure validation