Prediksi Struktur 3D L-Asparaginase Bakteri Laut Vibrio sp. AND4 dengan Metode Homology Modelling

Abstract

L-asparaginase is an enzyme that hydrolyzes L-asparagine into L-aspartate and ammonia, which can treat Acute Lymphoblastic Leukemia. Determination of the 3D structure of L-asparaginase from various sources can provide important information in understanding the biochemical properties and functions of L-asparaginase at the molecular level for the search for alternative L-asparaginase as a therapeutic protein. This study aimed to predict the 3D structure of L-asparaginase II from the marine bacterium Vibrio sp. AND4 with E.coli L-asparaginase II mutant (T12V) in complex with L-Asn at pH 7.0 [Escherichia coli K-12] (PDB ID: 6PA9) as structure template using homology modelling method with the SWISS-MODEL program. The research produces a 3D structure model with a Sequence identity of 70.55%, has a QMEANDisCo value of 0.86±0.05, and a GMQE value of 0.86. There are 93.1% residues in the most favoured regions and 0.3% residues in disallowed regions in the Ramachandran plot, with G-Factors of -0.08, which fulfils the requirements of ideal structural quality.