TITLE

Cα-H…O=C hydrogen bonds contribute to the specificity of RGD cell-adhesion interactions

AUTHOR(S)
Bella, Jordi; Humphries, Martin J.
PUB. DATE
January 2005
SOURCE
BMC Structural Biology;2005, Vol. 5, p4
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Background: The Arg-Gly-Asp (RGD) cell adhesion sequence occurs in several extracellular matrix molecules known to interact with integrin cell-surface receptors. Recently published crystal structures of the extracellular regions of two integrins in complex with peptides containing or mimicking the RGD sequence have identified the Arg and Asp residues as key specificity determinants for integrin recognition, through hydrogen bonding and metal coordination interactions. The central Gly residue also appears to be in close contact with the integrin surface in these structures. Results: When hydrogen atoms are modelled on the central Gly residue with standard stereochemistry, the interaction between this residue and a carbonyl group in the integrin surface shows all the hallmarks of Cα-H…O=C hydrogen bonding, as seen in the collagen triple helix and in many crystal structures of small organic molecules. Moreover, molecular dynamic simulations of the docking of RGD-containing fragments on integrin surfaces support the occurrence of these interactions. There appears to be an array of four weak and conventional hydrogen bonds lining up the RGD residues with main chain carbonyl groups in the integrin surface. Conclusions: The occurrence of weak Cα-H…O=C hydrogen bonds in the RGD-integrin interaction highlights the importance of the conserved Gly residue in the RGD motif and its contribution to integrin-ligand binding specificity. Our analysis shows how weak hydrogen bonds may also play important biological roles by contributing to the specificity of macromolecular recognition.
ACCESSION #
29323558

 

Related Articles

  • Cell adhesion: Basement membranes stick together. Baumann, Kim // Nature Reviews Molecular Cell Biology;Dec2014, Vol. 15 Issue 12, p767 

    The article presents a study that investigates the mechanism that facilitates the invasion and metastasis of melanoma cells.

  • Interplay between cell adhesion and growth factor receptors: from the plasma membrane to the endosomes. Ivaska, Johanna; Heino, Jyrki // Cell & Tissue Research;Jan2010, Vol. 339 Issue 1, p111 

    The emergence of multicellular animals could only take place once evolution had produced molecular mechanisms for cell adhesion and communication. Today, all metazoans express integrin-type adhesion receptors and receptors for growth factors. Integrins recognize extracellular matrix proteins and...

  • PHARMACOPHORE DEVELOPMENT, ATOM BASED 3-D QSAR AND MOLECULAR DOCKING OF AURORA A KINASE INHIBITORS. BONDE, CHANDRAKANT G. // International Journal of Pharma & Bio Sciences;Jan-Mar2014, Vol. 5 Issue 1, p84 

    Pharmacophore development, 3D-QSAR and docking studies were performed on twenty eight pyrrolotriazine derivatives as Aurora A kinase inhibitors. Five point pharmacophores with one hydrogen bond acceptor (A2), two hydrogen bond donor (D8, D11), one positive ionic (P15) and one aromatic ring (R17)...

  • New implementation of a combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals. Jaewoon Jung; Cheol Ho Choi; Sugita, Yuji; Ten-no, Seiichiro // Journal of Chemical Physics;11/28/2007, Vol. 127 Issue 20, p204102 

    Two new techniques are introduced in the generalized hybrid orbital (GHO) method [Pu et al., J. Phys. Chem. A 108, 632 (2004)] and tested on small molecules. The first is a way to determine occupation numbers dependent on the molecular mechanical (MM) atoms linked to the boundary. The method...

  • Influence of pore size on tensile strength, permeability and porosity of hyaluronan-collagen scaffolds. Al-Munajjed, Amir A.; Hien, Matthias; Kujat, Richard; Gleeson, John P.; Hammer, Joachim // Journal of Materials Science: Materials in Medicine;Aug2008, Vol. 19 Issue 8, p2859 

    Recent investigations have shown the importance of scaffold pore size on the realisation of tissue engineered cartilage which promotes cell adhesion, proliferation and differentiation. The objective of this study was to investigate the influence of pore size on the mechanical properties, the...

  • The name is bond ? H bond. Martin, T.W.; Derewenda, Zygmunt S. // Nature Structural Biology;May99, Vol. 6 Issue 5, p403 

    The hydrogen bond plays a critical role in diverse biological phenomena. Although discovered 90 years ago, the precise chemical nature of this unique interaction has remained in dispute. A recent Compton-scattering experiment, however, strongly supports a partially covalent picture of the...

  • Abnormal skeletal and cardiac development, cardiomyopathy, muscle atrophy and cataracts in mice with a targeted disruption of the Nov (Ccn3) gene. Heath, Emma; Tahri, Dalal; Andermarcher, Elisabetta; Schofield, Paul; Fleming, Stewart; Boulter, Catherine A. // BMC Developmental Biology;2008, Vol. 8, Special section p1 

    Background: Signals from the extracellular environment control many aspects of cell behaviour including proliferation, survival, differentiation, adhesion and migration. It is increasingly evident that these signals can be modulated by a group of matricellular proteins called the CCN family. CCN...

  • A new method for estimating the importance of hydrogen-bonding groups in the binding site of a protein. Kelly, Matthew D.; Mancera, Ricardo L. // Journal of Computer-Aided Molecular Design;Jul2003, Vol. 17 Issue 7, p401 

    We introduce a new method to estimate the importance of hydrogen-bonding sitepoints in the binding site of a protein as part of a structure-based design strategy. Our method identifies hydrogen-bonding sitepoints within a binding pocket and ranks them according to both the accessibility of their...

  • Alkali-Treated Collagen Retained the Triple Helical Conformation and the Ligand Activity for the Cell Adhesion via α2β1 Integrin. Hattori, Shunji; Adachi, Eijiro; Ebihara, Tetsuya; Shirai, Tomoko; Someki, Iori; Irie, Shinkichi // Journal of Biochemistry;1999, Vol. 125 Issue 4, p676 

    Alkaline treatment is a good method for extracting collagen with high recovery even from an aged animal specimen. However, the properties of collagen treated under alkaline conditions have not been well established yet. By the treatment with a solution of 3% sodium hydroxide and 1.9%...

Share

Read the Article

Courtesy of VIRGINIA BEACH PUBLIC LIBRARY AND SYSTEM

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics