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PROTEIN STRUCTURE PREDICTION: AN IN-DEPTH COMPARISON OF APPROACHES AND TOOLS    
Yazarlar (2)
Elif Altunkülah
Dr. Öğr. Üyesi Yunus ENSARİ Dr. Öğr. Üyesi Yunus ENSARİ
Kafkas Üniversitesi, Türkiye
Devamını Göster
Özet
Proteins play crucial roles, including biocatalysis, transportation, and receptor activity, in living organisms. Moreover, their functional efficacy is influenced by their structural properties. Determining the three-dimensional structure of a protein is crucial to comprehending its catalytic mechanism, identifying potentially beneficial mutations for industrial applications, and enhancing its properties, including stability, activity, and substrate affinity. Although X-ray crystallography, nuclear magnetic resonance (NMR), and electron microscopy are employed to ascertain protein structures, many researchers have turned to bioinformatics modeling tools because of the high cost and time demands of these techniques. For structure prediction, there are three basic methods: ab initio (de novo), homology-based, and threading-based modeling techniques. In this study, 11 modeling tools belong to different approaches were compared through modeling of various proteins; Geobacillus kaustophilus ksilan alpha-1,2-glucuronidase, Actinosynnema pretiosum bifunctional cytochrome P450/NADPH-P450 reductase, human high affinity cationic amino acid transporter 1 (SLC7A), human proton-coupled zinc antiporter (SLC30A) and Bacillus subtilis RNA polymerase sigma factor (sigY). Generated models were validated through QMEAN, QMEANDisCo, ProSA, ERRAT and PROCHECK tools. All of the studied proteins could be successfully modeled using homology modeling techniques, while some of the proteins could not be effectively modeled using threading or ab initio-based methods. YASARA generated reliable models for proteins that contain heteroatoms, such as …
Anahtar Kelimeler
Makale Türü Özgün Makale
Makale Alt Türü Ulusal alan endekslerinde (TR Dizin, ULAKBİM) yayınlanan tam makale
Dergi Adı Eskişehir Teknik Üniversitesi Bilim ve Teknoloji Dergisi - C Yaşam Bilimleri Ve Biyoteknoloji
Dergi ISSN 2667-4203
Dergi Tarandığı Indeksler TR DİZİN
Makale Dili Türkçe
Basım Tarihi 01-2024
Cilt No 13
Sayı 1
Sayfalar 31 / 51
Doi Numarası 10.18036/estubtdc.1378676
Makale Linki http://dx.doi.org/10.18036/estubtdc.1378676