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Volumn 126, Issue 49, 2004, Pages 16207-16216

Catalytic roles of active-site amino acid residues of coenzyme B 12-dependent diol dehydratase: Protonation state of histidine and pull effect of glutamate

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CATALYSIS; COENZYMES; HYDROGEN BONDS; IONS; MATHEMATICAL MODELS; PROTONS; QUANTUM THEORY; SUBSTRATES; WATER;

EID: 10344257551     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja045572o     Document Type: Article
Times cited : (42)

References (79)
  • 1
    • 0003413056 scopus 로고
    • John Wiley & Sons: New York
    • 12; John Wiley & Sons: New York, 1982; Vol. 2.
    • (1982) 12 , vol.2
    • Dolphin, D.1
  • 2
    • 0004247468 scopus 로고    scopus 로고
    • John Wiley & Sons: New York
    • 12; John Wiley & Sons: New York, 1999.
    • (1999) 12
    • Banerjee, R.1
  • 20
    • 10344228710 scopus 로고    scopus 로고
    • note
    • In this paper, all residue numbers in the α subunit.
  • 43
    • 10344262000 scopus 로고    scopus 로고
    • note
    • A (62111111|3311111|31) [8s7p2d] contraction. This is the same as a standard parameter of Gaussian 98 ab initio program for K at the 6-311G* level of theory.
  • 71
    • 10344232621 scopus 로고    scopus 로고
    • note
    • In general, vibrational analyses are required to confirm that an optimized geometry corresponds to a transition state that has only one imaginary frequency. However, rigorous proofs are not possible because calculations of Hessian for the whole-enzyme model are beyond the practical reach.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.