Prediction of the Trimer Protein Interface Residue Pair by CNN-GRU Model Based on Multi-Feature Map
Most life activities of organisms are realized through protein–protein interactions, and these interactions are mainly achieved through residue–residue contact between monomer proteins. Consequently, studying residue–residue contact at the protein interaction interface can contribute to a deeper und...
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MDPI AG
2025-01-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/15/3/188 |
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| author | Yanfen Lyu Ting Xiong Shuaibo Shi Dong Wang Xueqing Yang Qihuan Liu Zhengtan Li Zhixin Li Chunxia Wang Ruiai Chen |
| author_facet | Yanfen Lyu Ting Xiong Shuaibo Shi Dong Wang Xueqing Yang Qihuan Liu Zhengtan Li Zhixin Li Chunxia Wang Ruiai Chen |
| author_sort | Yanfen Lyu |
| collection | DOAJ |
| description | Most life activities of organisms are realized through protein–protein interactions, and these interactions are mainly achieved through residue–residue contact between monomer proteins. Consequently, studying residue–residue contact at the protein interaction interface can contribute to a deeper understanding of the protein–protein interaction mechanism. In this paper, we focus on the research of the trimer protein interface residue pair. Firstly, we utilize the amino acid k-interval product factor descriptor (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi mathvariant="normal">A</mi><mi mathvariant="normal">A</mi><mi mathvariant="normal">I</mi><mi mathvariant="normal">P</mi><mi mathvariant="normal">F</mi><mo>(</mo><mi mathvariant="normal">k</mi><mo>)</mo></mrow></semantics></math></inline-formula>) to integrate the positional information and physicochemical properties of amino acids, combined with the electric properties and geometric shape features of residues, to construct an 8 × 16 multi-feature map. This multi-feature map represents a sample composed of two residues on a trimer protein. Secondly, we construct a CNN-GRU deep learning framework to predict the trimer protein interface residue pair. The results show that when each dimer protein provides 10 prediction results and two protein–protein interaction interfaces of a trimer protein needed to be accurately predicted, the accuracy of our proposed method is 60%. When each dimer protein provides 10 prediction results and one protein–protein interaction interface of a trimer protein needs to be accurately predicted, the accuracy of our proposed method is 93%. Our results can provide experimental researchers with a limited yet precise dataset containing correct trimer protein interface residue pairs, which is of great significance in guiding the experimental resolution of the trimer protein three-dimensional structure. Furthermore, compared to other computational methods, our proposed approach exhibits superior performance in predicting residue–residue contact at the trimer protein interface. |
| format | Article |
| id | doaj-art-b46c778c99a54da68136a3307bf8aca0 |
| institution | DOAJ |
| issn | 2079-4991 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Nanomaterials |
| spelling | doaj-art-b46c778c99a54da68136a3307bf8aca02025-08-20T02:48:10ZengMDPI AGNanomaterials2079-49912025-01-0115318810.3390/nano15030188Prediction of the Trimer Protein Interface Residue Pair by CNN-GRU Model Based on Multi-Feature MapYanfen Lyu0Ting Xiong1Shuaibo Shi2Dong Wang3Xueqing Yang4Qihuan Liu5Zhengtan Li6Zhixin Li7Chunxia Wang8Ruiai Chen9College of Veterinary Medicine, South China Agricultural University, Guangzhou 510642, ChinaCollege of Veterinary Medicine, South China Agricultural University, Guangzhou 510642, ChinaSchool of Mathematics and Physics, Hebei University of Engineering, Handan 056038, ChinaSchool of Mechanical and Equipment Engineering, Hebei University of Engineering, Handan 056038, ChinaSchool of Mathematics and Physics, Hebei University of Engineering, Handan 056038, ChinaSchool of Mathematics and Physics, Hebei University of Engineering, Handan 056038, ChinaSchool of Mathematics and Physics, Hebei University of Engineering, Handan 056038, ChinaSchool of Mathematics and Physics, Hebei University of Engineering, Handan 056038, ChinaCollege of Landscape and Ecological Engineering, Hebei University of Engineering, Handan 056038, ChinaCollege of Veterinary Medicine, South China Agricultural University, Guangzhou 510642, ChinaMost life activities of organisms are realized through protein–protein interactions, and these interactions are mainly achieved through residue–residue contact between monomer proteins. Consequently, studying residue–residue contact at the protein interaction interface can contribute to a deeper understanding of the protein–protein interaction mechanism. In this paper, we focus on the research of the trimer protein interface residue pair. Firstly, we utilize the amino acid k-interval product factor descriptor (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mi mathvariant="normal">A</mi><mi mathvariant="normal">A</mi><mi mathvariant="normal">I</mi><mi mathvariant="normal">P</mi><mi mathvariant="normal">F</mi><mo>(</mo><mi mathvariant="normal">k</mi><mo>)</mo></mrow></semantics></math></inline-formula>) to integrate the positional information and physicochemical properties of amino acids, combined with the electric properties and geometric shape features of residues, to construct an 8 × 16 multi-feature map. This multi-feature map represents a sample composed of two residues on a trimer protein. Secondly, we construct a CNN-GRU deep learning framework to predict the trimer protein interface residue pair. The results show that when each dimer protein provides 10 prediction results and two protein–protein interaction interfaces of a trimer protein needed to be accurately predicted, the accuracy of our proposed method is 60%. When each dimer protein provides 10 prediction results and one protein–protein interaction interface of a trimer protein needs to be accurately predicted, the accuracy of our proposed method is 93%. Our results can provide experimental researchers with a limited yet precise dataset containing correct trimer protein interface residue pairs, which is of great significance in guiding the experimental resolution of the trimer protein three-dimensional structure. Furthermore, compared to other computational methods, our proposed approach exhibits superior performance in predicting residue–residue contact at the trimer protein interface.https://www.mdpi.com/2079-4991/15/3/188trimer proteinCNN-GRUmulti-feature map |
| spellingShingle | Yanfen Lyu Ting Xiong Shuaibo Shi Dong Wang Xueqing Yang Qihuan Liu Zhengtan Li Zhixin Li Chunxia Wang Ruiai Chen Prediction of the Trimer Protein Interface Residue Pair by CNN-GRU Model Based on Multi-Feature Map Nanomaterials trimer protein CNN-GRU multi-feature map |
| title | Prediction of the Trimer Protein Interface Residue Pair by CNN-GRU Model Based on Multi-Feature Map |
| title_full | Prediction of the Trimer Protein Interface Residue Pair by CNN-GRU Model Based on Multi-Feature Map |
| title_fullStr | Prediction of the Trimer Protein Interface Residue Pair by CNN-GRU Model Based on Multi-Feature Map |
| title_full_unstemmed | Prediction of the Trimer Protein Interface Residue Pair by CNN-GRU Model Based on Multi-Feature Map |
| title_short | Prediction of the Trimer Protein Interface Residue Pair by CNN-GRU Model Based on Multi-Feature Map |
| title_sort | prediction of the trimer protein interface residue pair by cnn gru model based on multi feature map |
| topic | trimer protein CNN-GRU multi-feature map |
| url | https://www.mdpi.com/2079-4991/15/3/188 |
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