Altai Maral [Сervus elaphus sibiricus] Chymosin Structural Characterization and Modeling the Enzyme Interaction with the Chymosin-Sensitive Regions of Κ-Caseins | Sciact - CRIS-система Института катализа

Altai Maral [Сervus elaphus sibiricus] Chymosin Structural Characterization and Modeling the Enzyme Interaction with the Chymosin-Sensitive Regions of Κ-Caseins Научная публикация

Журнал

International Journal of Biological Macromolecules
ISSN: 0141-8130

Вых. Данные

Год: 2025, Том: 330, Номер: Part 4, Номер статьи : 148085, Страниц : 16 DOI: 10.1016/j.ijbiomac.2025.148085

Ключевые слова

Maral chymosin; Substrate specificity; Structure; Chymosin active site; Peptide-peptide docking; Molecular dynamics Κ-Casein

Авторы

Belenkaya S.V. ¹ , Ilyina M.G. ² , Borisevich S.S. ² , Khamitov E.M. ³ , Diusenova S.E. ⁴ , Shevtsov M.B. ⁵ , Borshchevskiy V.I. ⁵ , Kolosov P.V. ⁶ , Fomin A.S. ⁶ , Arkhipov S.G. ^2,4 , Volosnikova E.A. ¹ , Elchaninov V.V. ⁷ , Kolybalov D.S. ^2,4 , Shcherbakov D.N. ^1,7

Организации

1	State Research Center of Virology and Biotechnology Vector, Koltsovo, Russia
2	Synchrotron Radiation Facility - Siberian Circular Photon Source "SKlF" Boreskov Institute of Catalysis of Siberian Branch of the Russian Academy of Sciences, Koltsovo, Russia
3	Ufa Institute of Chemistry, Ufa Federal Research Center of the Russian Academy of Sciences, Ufa, Russia
4	Novosibirsk State University, Novosibirsk, Russia
5	Research Center for Molecular Mechanisms of Aging and Age-Related Diseases, Moscow Institute of Physics and Technology, Moscow, Russia
6	Altai State University, Barnaul, Russia
7	Federal Altay Scientific Centre of Agro-BioTechnologies, Siberian Scientific Research Institute of Cheese Making, Barnaul, Russia

Информация о финансировании (2)

1	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	FWUR-2024-0040
2	Министерство науки и высшего образования Российской Федерации (с 15 мая 2018)	FSMG-2025-0012

Chymosins (Chn’s) are not only popular industrial milk coagulants, but also attractive models for studying the mechanisms of target peptide bonds recognition by aspartate peptidases. Despite the high amino acid sequence homology and similarity of their tertiary structures, Chns of various mammals may have significantly different enzymatic properties. We have obtained Altai maral (Cervus elaphus sibiricus) crystal structure. Bovine and dromedary camel chymosins with known structures and characterized specificities were used for comparative analysis. The recombinant maral Chn (rChn-Cer) specificity was determined by chromatograph mass spectrometry after enzyme incubation with peptide substrates repeating the maral, bovine and camel Κ-caseines (Κ-CN’s) chymosine sensitive regions. Analysis of resulting products indicates that in the maral and bovine -CN sequences, maral rChn hydrolyzes the F105-M106 bond, but in the camel substrate, it hydrolyzes the F97-I98 bond. According to the comparative analysis of spatial structures, the arrangement of catalytic amino acid residues of maral, bovine and camel Chn’s is almost identical. The obtained rChn-cer structure were used as a starting model for protein-protein docking and molecular dynamics to describe the interactions of the enzyme catalytic center with synthetic peptide substrates repeating the chymosine sensitive regions of maral, bovine and camel Κ-CN. The obtained results could be useful for understanding the mechanisms of interaction of chymosins with substrates of different species.

Belenkaya S.V. , Ilyina M.G. , Borisevich S.S. , Khamitov E.M. , Diusenova S.E. , Shevtsov M.B. , Borshchevskiy V.I. , Kolosov P.V. , Fomin A.S. , Arkhipov S.G. , Volosnikova E.A. , Elchaninov V.V. , Kolybalov D.S. , Shcherbakov D.N.
Altai Maral [Сervus elaphus sibiricus] Chymosin Structural Characterization and Modeling the Enzyme Interaction with the Chymosin-Sensitive Regions of Κ-Caseins
International Journal of Biological Macromolecules. 2025. V.330. NPart 4. 148085 :1-16. DOI: 10.1016/j.ijbiomac.2025.148085 OpenAlex СКИФ ID

Поступила в редакцию:	6 июл. 2025 г.
Принята к публикации:	1 окт. 2025 г.
Опубликована online:	3 окт. 2025 г.
Опубликована в печати:	1 нояб. 2025 г.

OpenAlex:	W4414785895
СКИФ ID:	4162

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