Molecular dynamics study on the ligand recognition by tandem SH3 domains of p47phox, regulating NADPH oxidase activity

DOI10.1016/J.COMPBIOLCHEM.2006.04.004MaRDI QIDQ849550zbMATH OpenOpenAlexWikidataFDO

Authors Yoko Watanabe, Hideyuki Tsuboi, Michihisa Koyama, Momoji Kubo, Carlos A. Del Carpio, Ewa Broclawik, Eiichiro Ichiishi, Masahiro Kohno, Akira Miyamoto

Publication date 31 October 2006

Published in Computational Biology and Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.compbiolchem.2006.04.004

zbMATH Keywords

molecular dynamicsligand recognitionNADPH oxidaseneutrophils complexPPII helixSH3 domainsurface generalized Born model

Mathematics Subject Classification ID

Medical applications (general) (92C50) Biochemistry, molecular biology (92C40)

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Cited in

(4)

• Metadynamics study of mutant human interferon-gamma forms
• Ab initio MO studies of interaction mechanisms of Protein Kinase C with cell membranes
• Docking simulations and QM/MM studies between isoniazid prodrug, catalase-peroxidase (KatG) and S315T mutant from mycobacterium tuberculosis
• Molecular dynamics simulations study of influence of Tyr422Ala mutation on transcriptional enhancer activation domain 4 (TEAD4) and transcription co-activators complexes

Describes a project that uses

Uses Software

• LIGPLOT
• Chimera

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