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TitleRegiodivergent and Enantioselective Hydroxylation of C-H bonds by Synergistic Use of Protein Engineering and Exogenous Dual-Functional Small Molecules.
Journal, issue, pagesAngew. Chem. Int. Ed. Engl., Vol. 62, Page e202215088-e202215088, Year 2023
Publish dateJul 4, 2022 (structure data deposition date)
AuthorsChen, J. / Dong, S. / Fang, W. / Jiang, Y. / Chen, Z. / Qin, X. / Wang, C. / Zhou, H. / Jin, L. / Feng, Y. ...Chen, J. / Dong, S. / Fang, W. / Jiang, Y. / Chen, Z. / Qin, X. / Wang, C. / Zhou, H. / Jin, L. / Feng, Y. / Wang, B. / Cong, Z.
External linksAngew. Chem. Int. Ed. Engl. / PubMed:36417593
MethodsX-ray diffraction
Resolution1.472 - 2 Å
Structure data

PDB-7yd9:
Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine,methylbenzene and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 1.748 Å

PDB-7yda:
Crystal structure of the P450 BM3 heme domain mutant F87V/T268V/A184V in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 1.557 Å

PDB-7ydb:
Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,ethylbenzene and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 1.472 Å

PDB-7ydc:
Crystal structure of the P450 BM3 heme domain mutant F87L/T268V/V78C in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 1.609 Å

PDB-7ydd:
Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine,propylbenzene and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 1.663 Å

PDB-7yde:
Crystal structure of the P450 BM3 heme domain mutant F87T/T268V/I263V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 1.789 Å

PDB-7yft:
Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine, indane and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-7yje:
Crystal structure of the P450 BM3 heme domain mutant F87G/T268V/A184V/A328V in complex with N-imidazolyl-hexanoyl-L-phenylalanine and acetate ion
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-7yjf:
Crystal structure of the P450 BM3 heme domain mutant F87A/T268P/V78I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 1.515 Å

PDB-7yjg:
Crystal structure of the P450 BM3 heme domain mutant F87A/T268V/A82C/L181M in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 1.684 Å

PDB-7yjh:
Crystal structure of the P450 BM3 heme domain mutant F87V/T268I in complex with N-imidazolyl-pentanoyl-L-phenylalanine and hydroxylamine
Method: X-RAY DIFFRACTION / Resolution: 1.792 Å

Chemicals

ChemComp-HEM:
PROTOPORPHYRIN IX CONTAINING FE

ChemComp-IC6:
(2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid

ChemComp-HOA:
HYDROXYAMINE

ChemComp-MBN:
TOLUENE

ChemComp-HOH:
WATER

ChemComp-IRV:
(2~{S})-2-(5-imidazol-1-ylpentanoylamino)-3-phenyl-propanoic acid

ChemComp-PYJ:
PHENYLETHANE

ChemComp-3H0:
propylbenzene

ChemComp-16N:
2,3-dihydro-1H-indene

ChemComp-ACT:
ACETATE ION

Source
  • priestia megaterium nbrc 15308 = atcc 14581 (bacteria)
KeywordsOXIDOREDUCTASE / P450 BM3 heme domain

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