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Volumn , Issue 12, 2000, Pages 2455-2458

Alkane hydroxylation by cytochrome P450: Is kinetic isotope effect a reliable probe of transition state structure?

Author keywords

Cytochrome P450; Density functional calculations; Hydroxylation; Isotope effects; Metalloenzymes

Indexed keywords

CARRIER MOBILITY; ISOTOPES; PROBES;

EID: 0033669428     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/1099-0682(200012)2000:12<2455::AID-EJIC2455>3.0.CO;2-4     Document Type: Article
Times cited : (43)

References (23)
  • 12
    • 0003662632 scopus 로고    scopus 로고
    • Gaussian, Inc., Pittsburgh PA
    • GAUSSIAN98, Gaussian, Inc., Pittsburgh PA, 1998.
    • (1998) GAUSSIAN98
  • 16
    • 33947474851 scopus 로고
    • Our program can calculate Bell corrections [ref. 15], Wigner corrections [ref. 15], and Eckart corrections. The latter correction uses the description in, H. S. Johnston, J. Heicklen, J. Chem. Phys. 1962, 66, 532-533.
    • (1962) J. Chem. Phys. , vol.66 , pp. 532-533
    • Johnston, H.S.1    Heicklen, J.2
  • 17
    • 0028085491 scopus 로고
    • J. K. Atkinson, P. F. Hollenberg, C. Johnson, M.-H. Le Tadic, M. Newcomb, D. A. Putt, Biochemistry 1994, 33, 10630-10637. [1.04 ± 0.24 for racemic mixture of the probe, and 0.6-0.7 (±0.1) for the pure enatiomers (R,R)-1 and (S,S)-1] The data seem to show an apparent discrepancy between the C/A ratios for the racemic mixture vis à vis the pure enantiomers. However, the uncertainties of the data are of the same order as the discrepancy.
    • (1994) Biochemistry , vol.33 , pp. 10630-10637
    • Atkinson, J.K.1    Hollenberg, P.F.2    Johnson, C.3    Le Tadic, M.-H.4    Newcomb, M.5    Putt, D.A.6
  • 18
    • 85163240804 scopus 로고    scopus 로고
    • note
    • The KIE on the C/A ratio is more reliable than the KIE values on the methyl/phenyl oxidation ratios which may reflect selective binding [ref. 5].
  • 20
    • 85163237986 scopus 로고    scopus 로고
    • note
    • HS ≈ 1.
  • 21
    • 85163237132 scopus 로고    scopus 로고
    • note
    • 3D ratio can be significantly different than unity, even if the KIE's are the same for the HS and LS path. We thank J. P. Jones for communicating this point.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.