Published December 10, 2023 | Version v1
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Structural data available for the study of protein-plasma-polymerized pyrrole interactions

Authors/Creators

  • 1. ROR icon Universidad Autónoma Metropolitana
  • 2. Universidad Autónoma Metropolitana Iztapalapa
  • 3. Universidad Autónoma del Estado de Morelos

Description

Structural dataset  are available  in this repository:

1) Crystal structure of the I domain from integrin alpha2beta1 from Homo sapiens. https://www.rcsb.org/structure/1aox

2) Structure of the Integrin alpha2beta1-binding Collagen Peptide from Homo sapiens. https://www.rcsb.org/structure/1q7d

3) Crystal structure of alpha5beta1 integrin ectodomain: Atomic details of the fibronectin receptor from Homo sapiens. https://www.rcsb.org/structure/3vi4 

4) Also is found the most populated cluster of 3VI4 obtained by molecular dynamics.  

5) PSPy ligands used for the molecular docking assays and free energy calculations  based on the structure proposed by Kumar et al 2003.

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Additional details

Identifiers

DOI
10.5281/zenodo.10342011

Related works

References
Journal article: 10.1021/acs.langmuir.3c00308 (DOI)
Journal article: 10.1038/s41598-019-43286-4 (DOI)
Book chapter: 10.1007/978-3-031-18256-3_16 (DOI)

Dates

Available
2023-12-10
Structural data available for public access

References

  • Berman, HM, Westbrook, J. The Protein Data Bank. Nucleic Acids Research. 2000, 28, pp: 235-242.
  • Emsley, J., King, S. L., Bergelson, J. M., & Liddington, R. C. (1997). Crystal structure of the I domain from integrin alpha2beta1. The Journal of biological chemistry, 272(45), 28512–28517. https://doi.org/10.1074/jbc.272.45.28512
  • Nagae, M., Re, S., Mihara, E., Nogi, T., Sugita, Y., & Takagi, J. (2012). Crystal structure of α5β1 integrin ectodomain: atomic details of the fibronectin receptor. The Journal of cell biology, 197(1), 131–140. https://doi.org/10.1083/jcb.201111077
  • Emsley, J., Knight, C. G., Farndale, R. W., & Barnes, M. J. (2004). Structure of the integrin alpha2beta1-binding collagen peptide. Journal of molecular biology, 335(4), 1019–1028. https://doi.org/10.1016/j.jmb.2003.11.030
  • Kumar SD, Nakamura K.Optical and electrical characterization of plasma polymerized pyrrole films,.Journal of Applied Physics. 2003, 93, pp. 2705-2711