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Volumn 42, Issue 14, 2003, Pages 4245-4247

Protonation state of Asp120 in the binuclear active site of the metallo-β-lactamase from Bacteroides fragilis

Author keywords

[No Author keywords available]

Indexed keywords

ALCOHOL DEHYDROGENASE; ASPARAGINE DERIVATIVE; ASPARTIC ACID; BETA LACTAMASE; METAL; ZINC;

EID: 0038574378     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic026059j     Document Type: Article
Times cited : (40)

References (35)
  • 21
    • 0000136590 scopus 로고
    • The protein residues were truncated at the β-carbon atom as in Carloni et al.: Carloni, P.; Blochl, P.; Parrinello, M. J. Phys. Chem. 1995, 99, 1338. Thus, histidine residues were modeled as methylimidazoles, aspartate groups as acetates, Cys221 as methanethiol, and Asnl 15 and Pro68 backbone as acetamide groups.
    • (1995) J. Phys. Chem. , vol.99 , pp. 1338
    • Carloni, P.1    Blochl, P.2    Parrinello, M.3
  • 24
    • 0038474256 scopus 로고    scopus 로고
    • CPMD. MPI fur Festkorperforschung Stuttgart and IBM Zurich Research Laboratory [3.4.]
    • Hutter, J,; Alavi, A.; Deutsch, T.; Silvestri, W.; Parrinello, M. CPMD. MPI fur Festkorperforschung Stuttgart and IBM Zurich Research Laboratory [3.4.]; 2000,
    • (2000)
    • Hutter, J.1    Alavi, A.2    Deutsch, T.3    Silvestri, W.4    Parrinello, M.5
  • 28
    • 0038135281 scopus 로고    scopus 로고
    • note
    • Standard convergence of 5*-4 (the maximum value for the biggest element of the gradient).
  • 31
    • 0034779028 scopus 로고    scopus 로고
    • We further noticed that in AH a proton is spontaneously transferred from Hisl 18 to Asp236, similarly to what was observed by El Yazal et al.: El Yazal, J.; Rao, S. N.; Mehl, A.; Slikker, W., Jr. Toxicol. Sci. 2001, 63, 223-232.
    • (2001) Toxicol. Sci. , vol.63 , pp. 223-232
    • El Yazal, J.1    Rao, S.N.2    Mehl, A.3    Slikker W., Jr.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.