Skip to main content

A Novel Protein Interface Prediction Framework via Hybrid Attention Mechanism

  • Conference paper
  • First Online:
  • 1557 Accesses

Part of the book series: Lecture Notes in Computer Science ((LNAI,volume 13282))

Abstract

Protein interface prediction is fundamental to understand the hidden principles of many living activities. Although many approaches to the task of protein interface prediction have been proposed, most of existing methods fail to make full use of the available sequence information and structure information. To address the challenge, we propose a deep learning-based end-to-end framework for protein interface prediction, in which a hybrid attention mechanism is utilized to take into account the semantic associations and complementary effect between both sequence and structure information. More specifically, a cross-modal attention is built to capture the semantic associations between sequence representations and structure representations for proteins. In addition, a type-level attention is introduced to model the different contributions of sequence and structure information for predicting protein interaction interface. Experimental results on three commonly used datasets demonstrate the effectiveness of the proposed method.

This is a preview of subscription content, log in via an institution.

Buying options

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   89.00
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD   119.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

References

  1. Minhas, A.F.U.A., Geiss, B.J., Ben-Hur, A.: Pairpred: partner-specific prediction of interacting residues from sequence and structure. Prot. Struct. Funct. Bioinform. 82(7), 1142–1155 (2014)

    Google Scholar 

  2. Altschul, S.F., et al.: Gapped BLAST and PSI-BLAST: a new generation of protein database search programs. Nucleic Acids Res. 25(17), 3389–3402 (1997)

    Google Scholar 

  3. Bartlett, G.J., Annabel, E.T., Thornton, J.M.: Inferring Protein Function from Structure, Chap. 19, pp. 387–407. Wiley (2003)

    Google Scholar 

  4. Berman, H.M., et al.: The protein data bank. Nucl. Acids Res. 28(1), 235–242 (2000)

    Google Scholar 

  5. Dai, B., Bailey-Kellogg, C.: Protein interaction interface region prediction by geometric deep learning. Bioinformatics (2021)

    Google Scholar 

  6. Esmaielbeiki, R., Krawczyk, K., Knapp, B., Nebel, J.C., Deane, C.M.: Progress and challenges in predicting protein interfaces. Brief. Bioinform. 17(1), 117–131 (2015)

    Google Scholar 

  7. Fauman, E.B., Hopkins, A.L., Groom, C.R.: Structural Bioinformatics in Drug Discovery, Chap. 23, pp. 477–497. Wiley (2003)

    Google Scholar 

  8. Fout, A.M.: Protein interface prediction using graph convolutional networks. Ph.D. thesis, Colorado State University (2017)

    Google Scholar 

  9. Frappier, V., Keating, A.E.: Data-driven computational protein design. Curr. Opin. Struct. Biol. 69, 63–69 (2021). (engineering and Design Membranes)

    Google Scholar 

  10. Frishman, D., Argos, P.: Knowledge-based protein secondary structure assignment. Prot. Struct. Funct. Bioinform. 23(4), 566–579 (1995)

    Google Scholar 

  11. Gupta, A., et al.: Deep learning in image cytometry: a review. Cytom. A 95(4), 366–380 (2019)

    Google Scholar 

  12. Hwang, H., Pierce, B., Mintseris, J., Janin, J., Weng, Z.: Protein-protein docking benchmark version 3.0. Prot. Struct. Funct. Bioinform. 73(3), 705–709 (2008)

    Google Scholar 

  13. Hwang, H., Vreven, T., Janin, J., Weng, Z.: Protein-protein docking benchmark version 4.0. Prot. Struct. Funct. Bioinform. 78(15), 3111–3114 (2010)

    Google Scholar 

  14. Jubb, H.C., Pandurangan, A.P., Turner, M.A., Ochoa-Montaño, B., Blundell, T.L., Ascher, D.B.: Mutations at protein-protein interfaces: small changes over big surfaces have large impacts on human health. Prog. Biophys. Molec. Biol. 128, 3–13 (2017). (exploring mechanisms in biology: simulations and experiments come together)

    Google Scholar 

  15. Kumar, A., Verma, S., Mangla, H.: A survey of deep learning techniques in speech recognition. In: 2018 International Conference on Advances in Computing, Communication Control and Networking (ICACCCN), pp. 179–185. IEEE (2018)

    Google Scholar 

  16. Liu, Y., Yuan, H., Cai, L., Ji, S.: Deep learning of high-order interactions for protein interface prediction. In: Proceedings of the 26th ACM SIGKDD International Conference on Knowledge Discovery and Data Mining, pp. 679–687 (2020)

    Google Scholar 

  17. Mihel, J., Sikić, M., Tomić, S., Jeren, B., Vlahovicek, K.: Psaia - protein structure and interaction analyzer. BMC Struct. Biol. 8, 21 (2008)

    Article  Google Scholar 

  18. Sanner, M.F., Olson, A.J., Spehner, J.C.: Reduced surface: an efficient way to compute molecular surfaces. Biopolymers 38(3), 305–320 (1996)

    Article  Google Scholar 

  19. Shandar, A., Kenji, M., Deane, C.M.: Partner-aware prediction of interacting residues in protein-protein complexes from sequence data. PLoS ONE 6(12), e29104 (2011)

    Article  Google Scholar 

  20. Townshend, R., Bedi, R., Suriana, P., Dror, R.: End-to-end learning on 3d protein structure for interface prediction. Adv. Neural. Inf. Process. Syst. 32, 15642–15651 (2019)

    Google Scholar 

  21. Urbanc, B.: Protein actions: principles and modeling. In: Bahar, I., Jernigan, R.l., Dill, K.A. (eds.) Garland science. Taylor and Francis group, 1st ed. 09 Feb 2017, ISBN: 9780815341772. (Journal of Biological Physics 43(4), 585-589 (2017))

    Google Scholar 

  22. Vreven, T., et al.: Updates to the integrated protein-protein interaction benchmarks: Docking benchmark version 5 and affinity benchmark version 2. J. Mol. Biol. 427(19), 3031–3041 (2015)

    Google Scholar 

  23. Xie, Y., Le, L., Zhou, Y., Raghavan, V.V.: Chapter 10 - deep learning for natural language processing. In: Gudivada, V.N., Rao, C. (eds.) Computational Analysis and Understanding of Natural Languages: Principles, Methods and Applications, Handbook of Statistics, vol. 38, pp. 317–328. Elsevier (2018)

    Google Scholar 

  24. Xue, L.C., Dobbs, D., Bonvin, A.M., Honavar, V.: Computational prediction of protein interfaces: A review of data driven methods. FEBS Lett. 589(23), 3516–3526 (2015)

    Article  Google Scholar 

  25. Yan, C., Wu, F., Jernigan, R.L., Dobbs, D., Honavar, V.: Characterization of protein-protein interfaces. Protein. J. 27(1), 59–70 (2008)

    Article  Google Scholar 

Download references

Acknowledgment

The work is partially supported by the National Natural Science Foundation of China (No. 61532008, No. 61872157, and No. 61932008), the Wuhan Science and Technology Program (2019010701011392), the Key Research and Development Program of Hubei Province (2020BAB017), the Fundamental Research Funds for the Central Universities (CCNU19TD004), the Research Fund of Guangxi Key Lab of Multi-source Information Mining & Security (MIMS19-02) and the Guangxi Key Laboratory of Trusted Software (kx201905). Authors are grateful to the anonymous reviewers for helpful comments.

Author information

Authors and Affiliations

Authors

Corresponding authors

Correspondence to Weizhong Zhao or Xingpeng Jiang .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2022 The Author(s), under exclusive license to Springer Nature Switzerland AG

About this paper

Check for updates. Verify currency and authenticity via CrossMark

Cite this paper

Wu, H., Luo, S., Zhao, W., Jiang, X., He, T. (2022). A Novel Protein Interface Prediction Framework via Hybrid Attention Mechanism. In: Gama, J., Li, T., Yu, Y., Chen, E., Zheng, Y., Teng, F. (eds) Advances in Knowledge Discovery and Data Mining. PAKDD 2022. Lecture Notes in Computer Science(), vol 13282. Springer, Cham. https://doi.org/10.1007/978-3-031-05981-0_29

Download citation

  • DOI: https://doi.org/10.1007/978-3-031-05981-0_29

  • Published:

  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-031-05980-3

  • Online ISBN: 978-3-031-05981-0

  • eBook Packages: Computer ScienceComputer Science (R0)

Publish with us

Policies and ethics