Most of the protein three-dimensional structures were determined with crystallographic methods in the solid state, where each molecule (therein after referred to as the "reference molecule") is surrounded by several other molecules that can influence its structure. The number of molecules that surround the reference molecule in protein crystal structures is examined on the basis of data extracted from the protein data bank. It is observed that there are as few as three and as many as 18 molecules in contact with the reference molecule, with an average number of about 10. The number of molecules around the reference molecule is smaller at higher symmetries than at lower symmetries and does not depend on the protein shape and dimension. The results reported here are a benchmark that may be useful the detection of potential anomalies and for the analyses of structural information both stored in databases or novel.

How many packing contacts are observed in protein crystals?

CARUGO, OLIVIERO ITALO;
2012-01-01

Abstract

Most of the protein three-dimensional structures were determined with crystallographic methods in the solid state, where each molecule (therein after referred to as the "reference molecule") is surrounded by several other molecules that can influence its structure. The number of molecules that surround the reference molecule in protein crystal structures is examined on the basis of data extracted from the protein data bank. It is observed that there are as few as three and as many as 18 molecules in contact with the reference molecule, with an average number of about 10. The number of molecules around the reference molecule is smaller at higher symmetries than at lower symmetries and does not depend on the protein shape and dimension. The results reported here are a benchmark that may be useful the detection of potential anomalies and for the analyses of structural information both stored in databases or novel.
2012
The Chemistry category includes resources that are general in nature and cover a broad spectrum of topics in the chemical sciences. Resources specifically covering analytical chemistry, inorganic and nuclear chemistry, organic chemistry, physical chemistry, and polymer science will be placed in those particular categories. Miscellaneous and applied chemistry resources may be placed in this category when not appropriate for specific subfields in chemistry.
Sì, ma tipo non specificato
Inglese
Internazionale
STAMPA
Peroteine; struttura tridimensionale; interazioni di impaccamento; stato solido; cristallografia
http://www.sciencedirect.com/science/article/pii/S1047847712001591
2
info:eu-repo/semantics/article
262
Carugo, OLIVIERO ITALO; Djinović Carugo, K.
1 Contributo su Rivista::1.1 Articolo in rivista
none
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11571/573067
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