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Determination and validation of mTOR kinase-domain 3D structure by homology modeling.

Lakhlili W, Chevé G, Yasri A, Ibrahimi A - Onco Targets Ther (2015)

Bottom Line: The quality and validation of the obtained model were performed using PROCHECK and PROVE softwares.The model validation was also done by docking of known inhibitors.In this paper, we describe and validate a 3D model for the mTOR catalytic site.

View Article: PubMed Central - PubMed

Affiliation: Laboratoire de Biotechnologie (MedBiotech), Faculté de Médecine et de Pharmacie de Rabat, Université Mohammed V de Rabat, Rabat, Morroco.

ABSTRACT
The AKT/mammalian target of rapamycin (mTOR) pathway is considered as one of the commonly activated and deregulated signaling pathways in human cancer. mTOR is associated with other proteins in two molecular complexes: mTOR complex 1/Raptor and the mTOR complex 2/Rictor. Using the crystal structure of the related lipid kinase PI3Kγ, we built a model of the catalytic region of mTOR. The modeling of the three-dimensional (3D) structure of the mTOR was performed by homology modeling program SWISS-MODEL. The quality and validation of the obtained model were performed using PROCHECK and PROVE softwares. The overall stereochemical property of the protein was assessed by the Ramachandran plot. The model validation was also done by docking of known inhibitors. In this paper, we describe and validate a 3D model for the mTOR catalytic site.

No MeSH data available.


Related in: MedlinePlus

Amino acid sequence of mTOR catalytic domain.Abbreviation: mTOR, mammalian target of rapamycin.
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f2-ott-8-1923: Amino acid sequence of mTOR catalytic domain.Abbreviation: mTOR, mammalian target of rapamycin.

Mentions: The amino acid sequence of catalytic domain of mTOR protein was retrieved from the Uniprot database. The selected sequence for physiochemical analysis and 3D modeling is given in Figure 2. Sequence alignment by ClustalW and BLAST showed, respectively, a 16.6% identity and 32% identity between a sequence of the mTOR catalytic domain and the template.


Determination and validation of mTOR kinase-domain 3D structure by homology modeling.

Lakhlili W, Chevé G, Yasri A, Ibrahimi A - Onco Targets Ther (2015)

Amino acid sequence of mTOR catalytic domain.Abbreviation: mTOR, mammalian target of rapamycin.
© Copyright Policy
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4525790&req=5

f2-ott-8-1923: Amino acid sequence of mTOR catalytic domain.Abbreviation: mTOR, mammalian target of rapamycin.
Mentions: The amino acid sequence of catalytic domain of mTOR protein was retrieved from the Uniprot database. The selected sequence for physiochemical analysis and 3D modeling is given in Figure 2. Sequence alignment by ClustalW and BLAST showed, respectively, a 16.6% identity and 32% identity between a sequence of the mTOR catalytic domain and the template.

Bottom Line: The quality and validation of the obtained model were performed using PROCHECK and PROVE softwares.The model validation was also done by docking of known inhibitors.In this paper, we describe and validate a 3D model for the mTOR catalytic site.

View Article: PubMed Central - PubMed

Affiliation: Laboratoire de Biotechnologie (MedBiotech), Faculté de Médecine et de Pharmacie de Rabat, Université Mohammed V de Rabat, Rabat, Morroco.

ABSTRACT
The AKT/mammalian target of rapamycin (mTOR) pathway is considered as one of the commonly activated and deregulated signaling pathways in human cancer. mTOR is associated with other proteins in two molecular complexes: mTOR complex 1/Raptor and the mTOR complex 2/Rictor. Using the crystal structure of the related lipid kinase PI3Kγ, we built a model of the catalytic region of mTOR. The modeling of the three-dimensional (3D) structure of the mTOR was performed by homology modeling program SWISS-MODEL. The quality and validation of the obtained model were performed using PROCHECK and PROVE softwares. The overall stereochemical property of the protein was assessed by the Ramachandran plot. The model validation was also done by docking of known inhibitors. In this paper, we describe and validate a 3D model for the mTOR catalytic site.

No MeSH data available.


Related in: MedlinePlus