X-RAY, NMR AND MOLECULAR-DYNAMICS STUDIES ON REDUCED BOVINE SUPEROXIDE-DISMUTASE - IMPLICATIONS FOR THE MECHANISM

被引：40
作者：
BANCI, L
BERTINI, I
BRUNI, B
CARLONI, P
LUCHINAT, C
MANGANI, S
ORIOLI, PL
PICCIOLI, M
RYPNIEWSKI, W
WILSON, KS
机构：
[1] UNIV FLORENCE, DEPT CHEM, I-50121 FLORENCE, ITALY
[2] UNIV BOLOGNA, INST AGR CHEM, I-40127 BOLOGNA, ITALY
[3] UNIV SIENA, DEPT CHEM, I-53100 SIENA, ITALY
[4] DESY, EUROPEAN MOLEC BIOL LAB, W-2000 HAMBURG, GERMANY
来源：
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS | 1994年 / 202卷 / 02期
关键词：
D O I：
10.1006/bbrc.1994.2040
中图分类号：
Q5 [生物化学]; Q7 [分子生物学];
学科分类号：
071010 ; 081704 ;
摘要：
Single crystals of the reduced form of Cu, Zn superoxide dismutase (space group P2(1)2(1)2(1), one dimer per asymmetric unit) have been obtained and their X-ray structure refined at 1.9 Angstrom resolution. The structure shows that the imidazolate bridge is maintained in the present crystalline form. It is confirmed that in solution the bridge is broken and the involved histidine is protonated on the side of copper. Based on the NOE constraints, and with the aid of molecular dynamics calculations, a structural model is proposed for the molecule in solution. Both structures are considered significant as far as the enzymatic mechanism is concerned. (C) 1994 Academic Press, Inc.
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收藏
页码：1088 / 1095
页数：8
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