2020
DOI: 10.3389/fmolb.2020.591381
|View full text |Cite
|
Sign up to set email alerts
|

Properties of Cavities in Biological Structures—A Survey of the Protein Data Bank

Abstract: We performed a PDB-wide survey of proteins to assess their cavity content, using the SPACEBALL algorithm to calculate the cavity volumes. In addition, we determined the hydropathy character of the cavities. We demonstrate that the cavities of most proteins are hydrophilic, but smaller proteins tend to have cavities with hydrophobic walls. We propose criteria for distinguishing between cavities and pockets, and single out proteins with the largest cavities.

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...
3
1
1

Citation Types

0
10
0

Year Published

2021
2021
2024
2024

Publication Types

Select...
9

Relationship

1
8

Authors

Journals

citations
Cited by 20 publications
(10 citation statements)
references
References 51 publications
0
10
0
Order By: Relevance
“…Such a cavity has been described for the insect allergen repeat domain, which contains two repeats of a domain of 5 helices, forming two hemispheres with one lipid inside (Mueller et al, 2013). The Lec1 cavity is uniquely large for a globular protein, at 29 nm 3 almost 10-fold larger than any known cavity with a predominantly hydrophobic surface (Chwastyk et al, 2020). Since Lec1 is associated with membranes, lipid droplets and also with lipid modifying enzymes, we consider it possible that it encloses hydrophobic molecules such as lipids or intermediates of lipid synthesis.…”
Section: Discussionmentioning
confidence: 99%
“…Such a cavity has been described for the insect allergen repeat domain, which contains two repeats of a domain of 5 helices, forming two hemispheres with one lipid inside (Mueller et al, 2013). The Lec1 cavity is uniquely large for a globular protein, at 29 nm 3 almost 10-fold larger than any known cavity with a predominantly hydrophobic surface (Chwastyk et al, 2020). Since Lec1 is associated with membranes, lipid droplets and also with lipid modifying enzymes, we consider it possible that it encloses hydrophobic molecules such as lipids or intermediates of lipid synthesis.…”
Section: Discussionmentioning
confidence: 99%
“…The algorithm uses two parameters: the lattice constant a and the probe radius r. The former value was set based on a number of tests (Chwastyk et al, 2020;Chwastyk & Cieplak, 2021). The probe radius was set to 1.42 A ˚, which is close to the size of a water molecule.…”
Section: Detection and Volume Calculation Of Protein Cavitiesmentioning
confidence: 99%
“…Still, they exclude the effects of bound charges within the microstructure [31]. EM waves in hydrophobic protein cavities [32] and mitochondria [33] represent EM cavities [32] and mitochondria [33] represent EM resonances. They are the origin of the endogenous EM field in aromatic studies of amino acids and organelles.…”
Section: Introductionmentioning
confidence: 99%