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Structural Analysis and Inhibitory Kinetics of Brain Type Creatine Kinase by Sodium Dodecyl Sulfate

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Abstract

The studies regarding the effect of sodium dodecyl sulfate (SDS) on enzyme activities and structures can provide a valuable insight into public health. We have predicted the 3D structure of the brain creatine kinase (CK-BB) with a high resolution and simulated the docking between CK-BB and SDS. The predicted structure had a root mean square deviation of 0.51 Å. The docking between CK-BB and SDS was successful with significant scores (−4.67 kcal/mol, AutoDock4 and −48.32 kcal/mol, DOCK6). We have also investigated the inactivation by using SDS to study CK-BB’s folding behaviors. The two-phase rate constants as a first-order reaction were measured during inactivation. SDS strongly inhibited the CK-BB activity in a noncompetitive inhibition manner (K i = 1.22 mM). The tertiary structural change was induced by SDS binding with the exposure of hydrophobic surface. The methyl-β-cyclodextrin was used to strip SDS from the enzyme molecule to reactivate. The changes of thermodynamic parameters for the SDS ligand binding such as enthalpy, Gibbs free energy, and entropy were obtained as −13 ± 7.0 MJ/mol, 8.39 kJ/mol, and −42.754 kJ/(K mol), respectively. Our study provides important structural information for CK-BB and its interaction with SDS with an insight on its folding and inhibition kinetics.

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Abbreviations

CK-BB:

Brain type creatine kinase

SDS:

Sodium dodecyl sulfate

M-β-CD:

Methyl-β-cyclodextrin

ANS:

1-Anilinonaphthalene-8-sulfonate

RMSD:

Root mean square deviation

DOPE:

Discrete optimized protein energy

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Acknowledgments

This study was supported by a grant from the National Basic Research Program of China (No. 2006CB504100). Dr. Yong-Doo Park was supported by fund from the Science and Technology Planning Project of Jiaxing (No. 2008AZ1024), Zhejiang. Dr. Jong Bhak was supported by a grant from the KRIBB Research Initiative Program of Korea. We thank Maryana Bhak for editing the manuscript.

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Authors and Affiliations

  1. Department of Environmental Health, School of Public Health and Tropical Medicine, Southern Medical University, Baiyun District, North of Guangzhou Road No.1838, Guangzhou, 510515, People’s Republic of China

    Zhi-Rong Lü, Shan-Shan Zhou, Hong-Wei Zhou, Yong-Doo Park & Fei Zou

  2. Korean BioInformation Center (KOBIC), KRIBB, Daejeon, 305-806, South Korea

    Sang Ho Oh, Daeui Park, Seong Jin Park & Jong Bhak

  3. Yangtze Delta Region Institute of Tsinghua University, Jiaxing, 314050, People’s Republic of China

    He-Chang Zou & Yong-Doo Park

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  1. Zhi-Rong Lü
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  2. Sang Ho Oh
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  3. Shan-Shan Zhou
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  4. He-Chang Zou
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  5. Daeui Park
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  6. Seong Jin Park
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  7. Hong-Wei Zhou
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  8. Jong Bhak
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  9. Yong-Doo Park
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  10. Fei Zou
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Correspondence to Fei Zou.

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Lü, ZR., Oh, S.H., Zhou, SS. et al. Structural Analysis and Inhibitory Kinetics of Brain Type Creatine Kinase by Sodium Dodecyl Sulfate. Appl Biochem Biotechnol 160, 831–842 (2010). https://doi.org/10.1007/s12010-008-8470-2

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  • DOI: https://doi.org/10.1007/s12010-008-8470-2

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