ArticleScientific reports2017
Packing topology in crystals of proteins and small molecules: a comparison.
Article in Scientific reports, 2017. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed, 43 citations in OpenAlex.
- A generic cross-seeding approach to protein crystallization.Journal of applied crystallography · 2025Article
- Ligand-Receptor Interactions ofBiomedicines · 2023Article
- Pore topology analysis in porous molecular systems.Royal Society open science · 2023Article
- Creation of Cross-Linked Crystals With Intermolecular Disulfide Bonds Connecting Symmetry-Related Molecules Allows Retention of Tertiary Structure in Different Solvent Conditions.Frontiers in molecular biosciences · 2022Article
- C-phycocyanin as a highly attractive model system in protein crystallography: unique crystallization properties and packing-diversity screening.Acta crystallographica. Section D, Structural biology · 2021Article
- Intermolecular Interactions in Crystal Structures of Imatinib-Containing Compounds.International journal of molecular sciences · 2020Article
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Authors and funding
5 authors at 4 institutions in 4 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We compared the topologies of protein and small molecule crystals, which have many common features - both are molecular crystals with intermolecular interactions much weaker than intramolecular interactions. They also have different features - a considerably large fraction of the volume of protein crystals is occupied by liquid water while no room is available to other molecules in small molecule crystals. We analyzed the overall and local topology and performed multilevel topological analyses (with the software package ToposPro) of carefully selected high quality sets of protein and small molecule crystal structures. Given the suboptimal packing of protein crystals, which is due the special shape and size of proteins, it would be reasonable to expect that the topology of protein crystals is different from the topology of small molecule crystals. Surprisingly, we discovered that these two types of crystalline compounds have strikingly similar topologies. This might suggest that molecular crystal formations share symmetry rules independent of molecular dimension.
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