Article Bacterial Proteins Bicarbonates Bioinformatics CMAS Catalytic Domain Cyclopropanes Methyltransferase Methyltransferases Mixed Function Oxygenases Models, Molecular Molecular Docking Simulation Molecular Dynamics Simulation Mycobacterium tuberculosis Mycolic acids QM/MM Structure-Activity Relationship Tuberculosis amino acid sequence bacterial enzyme bacterial protein bicarbonate chemistry comparative study cyclopropane cyclopropane derivative cyclopropane mycolic acid synthase energy enzyme active site enzyme activity