Detailed Information on Publication Record
2021
The analysis of CH–π interaction in protein–carbohydrate binding
HOUSER, Josef, Stanislav KOZMON, Deepti MISHRA, Zuzana HAMMEROVÁ, Michaela WIMMEROVÁ et. al.Basic information
Original name
The analysis of CH–π interaction in protein–carbohydrate binding
Authors
HOUSER, Josef (203 Czech Republic, belonging to the institution), Stanislav KOZMON (703 Slovakia, belonging to the institution), Deepti MISHRA (356 India, belonging to the institution), Zuzana HAMMEROVÁ (203 Czech Republic, belonging to the institution), Michaela WIMMEROVÁ (203 Czech Republic, guarantor, belonging to the institution) and Jaroslav KOČA (203 Czech Republic, belonging to the institution)
Edition
25th IUCr Congress, 2021
Other information
Language
English
Type of outcome
Konferenční abstrakt
Field of Study
10608 Biochemistry and molecular biology
Country of publisher
Czech Republic
Confidentiality degree
není předmětem státního či obchodního tajemství
Impact factor
Impact factor: 2.331
RIV identification code
RIV/00216224:14740/21:00129957
Organization unit
Central European Institute of Technology
ISSN
Keywords in English
CH-π interactions; protein-carbohydrate binding; bioinformatics; aromatic amino acids
Tags
Změněno: 4/4/2024 20:45, Mgr. Eva Dubská
V originále
The molecular recognition of carbohydrates by proteins plays a key role in many biological processes including immune response, pathogen entry into a cell and cell-cell adhesion (e.g., in cancer metastasis). Carbohydrates interact with proteins mainly through hydrogen bonding, metal-ion-mediated interaction and non-polar dispersion interactions. The role of dispersion-driven CH-π interactions (stacking) in protein-carbohydrate recognition has been underestimated for a long time considering the polar interactions to be the main forces for saccharide interactions. However, over the last few years it turns out that non-polar interactions are equally important. Using the Protein Data Bank (PDB) structural data, we analyzed the CH-π interactions employing bioinformatics (data mining, structural analysis), several experimental (ITC, X-ray crystallography) and computational techniques. Within 12 000 protein complexes with carbohydrates from PDB, the stacking interactions were found in about 39% of them. The calculations and the ITC measurement results suggest that the CH-π stacking contribution to the overall binding energy ranges from 4 kcal/mol up to 8 kcal/mol. All the results show that the stacking CH-π interactions in protein-carbohydrate complexes can be considered to be a driving force of the binding in such complexes.
In Czech
Rozpoznávání sacharidů proteiny na molekulární úrovni je klíčovou součástí mnoha biologických procesů včetně imunitní odpovědi, interakce patogenů s hostitelskou buňkou a buněčné adheze. S využitím dat z databáze PDB jsme s využitím bioinformatiky, experimentálních a výpočetních přístupů analyzovali zapojení CH-π interakcí od těchto procesů.
Links
| EF16_013/0001776, research and development project |
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| GA18-18964S, research and development project |
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| LQ1601, research and development project |
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