메뉴 건너뛰기




Volumn 131, Issue 1, 2009, Pages 277-288

Spectroscopic and computational studies of nitrite reductase: Proton induced electron transfer and backbonding contributions to reactivity

Author keywords

[No Author keywords available]

Indexed keywords

COORDINATION REACTIONS; COPPER; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; PROBABILITY DENSITY FUNCTION; PROTONS; SULFUR COMPOUNDS;

EID: 62649090829     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja806873e     Document Type: Article
Times cited : (93)

References (42)
  • 2
    • 0001076517 scopus 로고    scopus 로고
    • Averill, B. A. Chem. 1996, 96, 2951.
    • (1996) Chem , vol.96 , pp. 2951
    • Averill, B.A.1
  • 6
    • 84962463888 scopus 로고    scopus 로고
    • However, in some NiRs these are green sites due to a tetragonal distortion of the bonds which changes the charge transfer from π to σ
    • However, in some NiRs these are green sites due to a tetragonal distortion of the bonds which changes the charge transfer from π to σ.
  • 32
    • 84962376281 scopus 로고    scopus 로고
    • Tenderholt, A. L. PyMOlyze, Version 1.1
    • Tenderholt, A. L. PyMOlyze, Version 1.1, http://pymolyze.source-forge. net.
  • 34
    • 84962376286 scopus 로고    scopus 로고
    • 35
    • 35
  • 37
    • 0034730997 scopus 로고    scopus 로고
    • 2- π mixing into the SOMO in NiR but not the model complexes.
    • 2- π mixing into the SOMO in NiR but not the model complexes.
  • 38
    • 84962376335 scopus 로고    scopus 로고
    • Note that the reduction of the T2 Cu increases the proton affinity of the aspartate residue by 25 kcal/mol both in the presence and absence of nitrite. This is because the decreased positive charge on the copper favors the protonation of the negatively charged aspartate residue.
    • Note that the reduction of the T2 Cu increases the proton affinity of the aspartate residue by 25 kcal/mol both in the presence and absence of nitrite. This is because the decreased positive charge on the copper favors the protonation of the negatively charged aspartate residue.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.