8USF

Crystal Structure of Kemp Eliminase HG649 with bound transition state analogue, 280 K

Summary for 8USF

Entry DOI	10.2210/pdb8usf/pdb
Descriptor	Kemp eliminase, 6-NITROBENZOTRIAZOLE (3 entities in total)
Functional Keywords	de novo enzyme design; computational protein design; kemp eliminases; biocatalysis; directed evolution; x-ray crystallography, hydrolase
Biological source	Thermoascus aurantiacus
Total number of polymer chains	2
Total formula weight	69133.55
Authors	Seifinoferest, B. (deposition date: 2023-10-27, release date: 2023-12-06, Last modification date: 2024-06-19)
Primary citation	Rakotoharisoa, R.V.,Seifinoferest, B.,Zarifi, N.,Miller, J.D.M.,Rodriguez, J.M.,Thompson, M.C.,Chica, R.A. Design of Efficient Artificial Enzymes Using Crystallographically Enhanced Conformational Sampling. J.Am.Chem.Soc., 146:10001-10013, 2024 Cited by PubMed: 38532610 DOI: 10.1021/jacs.4c00677 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.45 Å)

Structure validation