Internal interaction changes within the mutation of SLC26A4 STAS domain

Jae In Kim; Hyunjoon Chang; Myeongsang Lee; Sungsoo Na

doi:10.1016/j.cplett.2018.09.002

Internal interaction changes within the mutation of SLC26A4 STAS domain

Jae In Kim, Hyunjoon Chang, Myeongsang Lee, Sungsoo Na

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Abstract

Pendrin (SLC26A4) is a protein associated with the auditory system. Pendred syndrome (PDS) and DFNB4 are typical auditory disorders caused by mutations in the SLC26A4 STAS domain. We generated an SLC26A4 STAS domain model and six mutated STAS domain models related to PDS, DFNB4, and PDS/DFNB4 by homology modeling. Molecular dynamics simulation was performed to find the equilibration conformation and fluctuation information. Using fluctuation information, we calculated betweenness centrality and edge betweenness to reveal communication between secondary structures of STAS domain. The edge betweenness results showed that mutated models generate communication signals that are less clear than WT models.

Original language	English
Pages (from-to)	226-233
Number of pages	8
Journal	Chemical Physics Letters
Volume	710
DOIs	https://doi.org/10.1016/j.cplett.2018.09.002
Publication status	Published - 2018 Oct 16

Keywords

DFNB4
Molecular dynamics
Network analysis
PDS
Pendrin (SLC26A4)

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/j.cplett.2018.09.002

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title = "Internal interaction changes within the mutation of SLC26A4 STAS domain",

abstract = "Pendrin (SLC26A4) is a protein associated with the auditory system. Pendred syndrome (PDS) and DFNB4 are typical auditory disorders caused by mutations in the SLC26A4 STAS domain. We generated an SLC26A4 STAS domain model and six mutated STAS domain models related to PDS, DFNB4, and PDS/DFNB4 by homology modeling. Molecular dynamics simulation was performed to find the equilibration conformation and fluctuation information. Using fluctuation information, we calculated betweenness centrality and edge betweenness to reveal communication between secondary structures of STAS domain. The edge betweenness results showed that mutated models generate communication signals that are less clear than WT models.",

keywords = "DFNB4, Molecular dynamics, Network analysis, PDS, Pendrin (SLC26A4)",

author = "Kim, {Jae In} and Hyunjoon Chang and Myeongsang Lee and Sungsoo Na",

note = "Funding Information: J.I.K gratefully acknowledges funding from the Basic Science Research Program of the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT & Future Planning (MSIP) (No. NRF-2016R1A6A3A01010058). Funding Information: J.I.K gratefully acknowledges funding from the Basic Science Research Program of the National Research Foundation of Korea (NRF) funded by the Ministry of Science , ICT & Future Planning (MSIP) (No. NRF-2016R1A6A3A01010058 ). Publisher Copyright: {\textcopyright} 2018 Elsevier B.V.",

year = "2018",

month = oct,

day = "16",

doi = "10.1016/j.cplett.2018.09.002",

language = "English",

volume = "710",

pages = "226--233",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier",

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TY - JOUR

T1 - Internal interaction changes within the mutation of SLC26A4 STAS domain

AU - Kim, Jae In

AU - Chang, Hyunjoon

AU - Lee, Myeongsang

AU - Na, Sungsoo

N1 - Funding Information: J.I.K gratefully acknowledges funding from the Basic Science Research Program of the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT & Future Planning (MSIP) (No. NRF-2016R1A6A3A01010058). Funding Information: J.I.K gratefully acknowledges funding from the Basic Science Research Program of the National Research Foundation of Korea (NRF) funded by the Ministry of Science , ICT & Future Planning (MSIP) (No. NRF-2016R1A6A3A01010058 ). Publisher Copyright: © 2018 Elsevier B.V.

PY - 2018/10/16

Y1 - 2018/10/16

N2 - Pendrin (SLC26A4) is a protein associated with the auditory system. Pendred syndrome (PDS) and DFNB4 are typical auditory disorders caused by mutations in the SLC26A4 STAS domain. We generated an SLC26A4 STAS domain model and six mutated STAS domain models related to PDS, DFNB4, and PDS/DFNB4 by homology modeling. Molecular dynamics simulation was performed to find the equilibration conformation and fluctuation information. Using fluctuation information, we calculated betweenness centrality and edge betweenness to reveal communication between secondary structures of STAS domain. The edge betweenness results showed that mutated models generate communication signals that are less clear than WT models.

AB - Pendrin (SLC26A4) is a protein associated with the auditory system. Pendred syndrome (PDS) and DFNB4 are typical auditory disorders caused by mutations in the SLC26A4 STAS domain. We generated an SLC26A4 STAS domain model and six mutated STAS domain models related to PDS, DFNB4, and PDS/DFNB4 by homology modeling. Molecular dynamics simulation was performed to find the equilibration conformation and fluctuation information. Using fluctuation information, we calculated betweenness centrality and edge betweenness to reveal communication between secondary structures of STAS domain. The edge betweenness results showed that mutated models generate communication signals that are less clear than WT models.

KW - DFNB4

KW - Molecular dynamics

KW - Network analysis

KW - PDS

KW - Pendrin (SLC26A4)

UR - http://www.scopus.com/inward/record.url?scp=85053122115&partnerID=8YFLogxK

U2 - 10.1016/j.cplett.2018.09.002

DO - 10.1016/j.cplett.2018.09.002

M3 - Article

AN - SCOPUS:85053122115

SN - 0009-2614

VL - 710

SP - 226

EP - 233

JO - Chemical Physics Letters

JF - Chemical Physics Letters

ER -

Internal interaction changes within the mutation of SLC26A4 STAS domain

Abstract

Keywords

ASJC Scopus subject areas

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