ATP Hydrolysis Induced Conformational Changes in the Vitamin B12 Transporter BtuCD Revealed by MD Simulations

Open Access

Peer-reviewed

Research Article

ATP Hydrolysis Induced Conformational Changes in the Vitamin B₁₂ Transporter BtuCD Revealed by MD Simulations

Chao Pan,

Affiliation Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Department of Chemistry, and Institutes of Biomedical Sciences, Fudan University, Shanghai, P. R. China
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Jingwei Weng ,

* E-mail: jwweng@fudan.edu.cn (JW); wnwang@fudan.edu.cn (WW)

Affiliation Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Department of Chemistry, and Institutes of Biomedical Sciences, Fudan University, Shanghai, P. R. China
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Wenning Wang

* E-mail: jwweng@fudan.edu.cn (JW); wnwang@fudan.edu.cn (WW)

Affiliation Shanghai Key Laboratory of Molecular Catalysis and Innovative Materials, Department of Chemistry, and Institutes of Biomedical Sciences, Fudan University, Shanghai, P. R. China
⨯

Nucleotides
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Hydrogen bonding
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ATP hydrolysis
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Crystal structure
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Hydrolysis
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Interaction networks
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Molecular dynamics
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Phosphates
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