7XEF

Crystal Structure of the Y53F/N55A mutant of LEH complexed with (R)-(1-benzyl-3-phenylpyrrolidin-3-yl)methanol

Summary for 7XEF

Entry DOI	10.2210/pdb7xef/pdb
Descriptor	Limonene-1,2-epoxide hydrolase, [(3~{R})-3-phenyl-1-(phenylmethyl)pyrrolidin-3-yl]methanol, 1,2-ETHANEDIOL, ... (6 entities in total)
Functional Keywords	limonene-1, 2-epoxide hydrolase, mutant, rhodococcus erythropolis, hydrolase
Biological source	Rhodococcus erythropolis
Total number of polymer chains	4
Total formula weight	70965.73
Authors	Qu, G.,Li, X.,Sun, Z.T. (deposition date: 2022-03-31, release date: 2023-01-18, Last modification date: 2023-11-29)
Primary citation	Li, J.K.,Qu, G.,Li, X.,Tian, Y.,Cui, C.,Zhang, F.G.,Zhang, W.,Ma, J.A.,Reetz, M.T.,Sun, Z. Rational enzyme design for enabling biocatalytic Baldwin cyclization and asymmetric synthesis of chiral heterocycles. Nat Commun, 13:7813-7813, 2022 Cited by PubMed: 36535947 DOI: 10.1038/s41467-022-35468-y PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.816 Å)

Structure validation