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Table 1 Analysis of the proposed sites for site-directed mutagenesis

From: Biosynthesis of acetylacetone inspired by its biodegradation

Proposed sites

Mutation information

Annotation

A60

N60 or D60

The carbonyl oxygen of A60 (Additional file 1: Fig. S3b) is hydrogen bonded to H62. The electrons could be transferred to H62 after Ala mutated to Asp or Asn

G101

N101, D101 or S101

The N of the main chain of G101 (Additional file 1: Fig. S3c) is hydrogen bonded to the O of the main chain of H64. When Gly was mutated to Asp, Asn or Ser, the electron distribution of site 101 will change and thus affect the catalytic activity

L103

R103, Q103 or C103

L103 (Additional file 1: Fig. S3c) was located close to H104; the property of site 103 directly affects H104. When the nonpolar amino acid (Leu) was mutated to polar amino acid (Gln, Cys) or alkaline amino acid (Arg), the influence to H104 from site 103 may change and thus affect the catalytic activity

G105

D105

When G105 (Additional file 1: Fig. S3c) was mutated to D105, the electronegativity of the catalytic activity center will be significantly increased

E140

V140

E140 (Additional file 1: Fig. S3d) with hydrophobic amino acids around was located on the outer edge of the hydrophobic channel. When the acidic amino acid (Glu) was mutated to a hydrophobic amino acid (Val), it might be more conducive to discharge the catalytic product