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Journal : JURNAL KIMIA SAINS DAN APLIKASI

Molecular Docking Study of IPBCC.08.610 Glucose Oxidase Mutant for Increasing Gluconic Acid Production Shobiroh Nuur' Alimah; Tony Ibnu Sumaryada; Waras Nurcholis; Laksmi Ambarsari
Jurnal Kimia Sains dan Aplikasi Vol 25, No 5 (2022): Volume 25 Issue 5 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1286.493 KB) | DOI: 10.14710/jksa.25.5.169-178

Abstract

Glucose oxidase (GOD) is an oxidoreductase enzyme that catalyzes the oxidation of glucose to gluconolactone and hydrogen peroxide. Then, gluconolactone will be hydrolyzed to gluconic acid. The wide application of gluconic acid in various industries has increased production demand. However, glucose concentrations higher than 40% (w/w) inhibited the conversion of glucose to gluconic acid due to a decrease in the oxygen solubility concentration at pH 6, 30℃, and 1 bar pressure. Therefore, decreasing the value of Km is predicted to reduce saturation and enhance gluconic acid production. This study aimed to analyze the interaction between the IPBCC.08.610 GOD mutant with β-D-Glucose in improving gluconic acid production by decreasing the Km value. Mutations were performed in silico using Chimera and then docked using AutoDock Vina. The mutations resulted in distinct ligand poses in the binding pocket, different -OH conformations of the ligands, and changes in the T554M/D578P mutant’s hydrophobicity index (554 mutated from threonine to methionine, and 578 mutated from aspartate to proline), and decreased ΔG and Km values in the H559D mutant (559 mutated from histidine to aspartate), D578P and T554M/D578P. This decrease might strengthen the ligand-receptor interaction, increasing gluconic acid production. The H559D was the best mutant to increase production based on the ΔG, Km value, and stability due to the addition of hydrogen bonds.
Co-Authors A.A. Ketut Agung Cahyawan W AA Sudharmawan, AA Alfari Andiqa Muhammad Ali Umar Amalia Prihaningsih Anggriawan, Made B. Ani Kurniawati Annisa Dhiya Athiyyah Khanza Antonius Padua Ratu Antonius Padua Ratu Anyalirria Apipah Aprianti Arianti, Rini Arifin, Poppy F. Arya Arendra Baharuddin Yusuf Habibie Bambang Pontjo Priosoeryanto Bintang, dan Maria Binukajati, Farras Agung Chelsea Chelsea, Chelsea Damarhati, Lelly Aulia Dewi Sukma Dian Apriliani, Dian Dian R. Laksmitawati DIMAS ANDRIANTO Djarot Sasongko Hami Seno Dolfina Costansah Koirewoa Dyah Sulistyani Rahayu Edoward Krisson Raunsay Edy Djauhari Purwakusumah Edy Djauhari Purwakusumah Edy Djauhari Purwakusumah Edy Djauhari Purwakusumah Egra, Saat Eka Nurul Qomaliyah Enny Rimita Sembiring Erna Subroto Eva Harlina Fachrur Rizal Mahendra Fachrur Rizal Mahendra Fachrur Rizal Mahendra Fadila Raisyadikara Faiza, Lucky Lia Faizal Maulana Fajriansyah, Muhamad Renza Faris Adam Fina Febrianti Firmanul Hasan Fitria, Rizki Fransiska Devy Junardy Ghifari, Muhammad Nabil GIA PERMASKU Gultom, Milanda Fiorella Habibi, B Y Hamdan Hafizh Harahap Hamdan Hafizh Harahap Hanifah Aryani Harmanto, Ning Hartanti Hartanti Hartanti Hartanti Hartanti Hartanti, Hartanti Hayatul Rahmi Hyakansa Hyakansa I MADE ARTIKA I Made Artika Inawati Inawati Inda Setyawati, Inda Innes Maulidya Irmanida Batubara Jesajas, David Reinhard Juliana, Dara Junardy, Fransiska Devy Kamilah Da’inawari Khalissa Sekar Amanda Sudarjat Kilala Tilaar Kornelia Rosvita Manek Kunto Wibisono Kunto Wibisono Kunto Wibisono LAKSMI AMBARSARI Latifah K Darusman Latifah K Darusman latifah K Darusman Latifah K. Darusman Lelly Aulia Damarhati Lina Noviyanti Sutardi Lisnawati Tumanggor Liwanda, Novian Lucky Lia Faiza Luky Adrianto M, Kornelia Rosvita M. Agung Zaim Adzkiya M. Rafi Maily Mustofa Maria Bintang MARIA BINTANG Maria Magdalena Maulana, Asy Syifa Tickna Maulidya, Innes Mayang Anggita Cahya Kurnia Mayang Anggita Cahya Kurnia Milanda Fiorella Gultom Milanda Fiorella Gultom Mira Takene Mohamad Rafi Mono Rahardjo Muhamad Rizal Martua Damanik Muhamad Syukur Muhammad Maftuchin Sholeh Muhammad Musthofa Muhammad Riyo Agung Kurnia Mulyati, Teti Mustika Weni Mustofa, Maily Muthoharoh, Rini Najmah Najmah Najmah Najmah, Najmah Nella Angelina Simanjuntak Nelly Marliani Nevianti Zamany Ning Harmanto Norman Razief Azwar Novita Sari Nurul Khumaida Nurul Komala P.Roswiem, Anna Pebra Heriansyah Popi Asri Kurniatin Poppy F. Arifin Priyadi, Yogo Suro Puspa Julistia Puspita Putra, Raihan Permana Putri, Dita Audia Qomariyah, Eka Nurul Rachmi Ridho Rahmadansah Rahmadansah Raphael Aswin Susilowidodo Rara Annisaur Rosyidah Ratna Puspita Ratna Puspita, Ratna Rerenstradika Tizar Terryana Riki Riki Rikno Harmoko Rini Muthoharoh Rini Novita Riski Rostantinata Riti, Dominggus Ngongo Riyan Alifbi Putera Irsal Rizki Fitria Rizki Fitria Ros Sumarny Rosalina Wisastra Roswiem, Anna Priangani Rusmiyati, Henny Saat Egra Sadwika Najmi Kautsari Safira Khoirunnisa Safira Khoirunnisa Sandra Arifin Aziz Seliani Fitria Mukti Shobiroh Nuur' Alimah Sholeh, Muhammad Maftuchin Siahaan Rafael Siti Nur'aeni Sri Suhesti Sri Suhesti Sri Suhesti Sriwongo, Stephanie Subroto, Erna Sukma, Dewi Suryani Suryani Suryani Suryani Suryani Suryani Susilowidodo, Raphael Aswin Syamsul Falah Syarifah Iis Aisyah Takene, Mira Takeshi Katayama Taopik Ridwan Taufik Ridwan Taufik Ridwan Taufik Ridwan, Taufik Taureza, Aulia Tiara Rizky Utami Tilaar, Kilala Tony Sumaryada Toshisada Suzuki Tubagus Iqbal Maulana Tumanggor, Lisnawati Utami Dyah Safitri Weni, Mustika Wisastra, Rosalina Wulan Tri Wahyuni Wulansari, Laela Yogo Suro Priyadi Yoshua Shandy Yudha Yuliana Galih Dyan Anggraheni Yulianto Zamany, Nevianti