Difference contact maps: From what to why in the analysis of the conformational flexibility of proteins.
Journal
PloS one
ISSN: 1932-6203
Titre abrégé: PLoS One
Pays: United States
ID NLM: 101285081
Informations de publication
Date de publication:
2020
2020
Historique:
received:
19
08
2019
accepted:
03
12
2019
entrez:
13
3
2020
pubmed:
13
3
2020
medline:
28
5
2020
Statut:
epublish
Résumé
Protein structures, usually visualized in various highly idealized forms focusing on the three-dimensional arrangements of secondary structure elements, can also be described as lists of interacting residues or atoms and visualized as two-dimensional distance or contact maps. We show that contact maps provide an ideal tool to describe and analyze differences between structures of proteins in different conformations. Expanding functionality of the PDBFlex server and database developed previously in our group, we describe how analysis of difference contact maps (DCMs) can be used to identify critical interactions stabilizing alternative protein conformations, recognize residues and positions controlling protein functions and build hypotheses as to molecular mechanisms of disease mutations.
Identifiants
pubmed: 32163442
doi: 10.1371/journal.pone.0226702
pii: PONE-D-19-23395
pmc: PMC7067477
doi:
Substances chimiques
Ligands
0
Proteins
0
Types de publication
Journal Article
Research Support, N.I.H., Extramural
Langues
eng
Sous-ensembles de citation
IM
Pagination
e0226702Subventions
Organisme : NIGMS NIH HHS
ID : R35 GM118187
Pays : United States
Déclaration de conflit d'intérêts
The authors have declared that no competing interests exist.
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