This repository contains PDB files of the human Tropomyosin receptor kinase A (TrkA), modelled in an active configuration bound to ATP molecule and different substrates, and a PDB file of PLC-gamma N-SH2 domain modelled in complex with the TrkA-derived peptide pQYP.
These models as well as the computational approaches used to built them are described in the study entittled "Structural analysis of mutations in patients with congenital insensitivity to pain guiding therapeutic approaches for the development of analgesics".
3D structural model of the active TrkA (chain A) in complex with ATP and MG (chain L).
3D structural model of the active TrkA (chain A) in complex with ATP, MG (chain L) and PLC-gamma C-SH2 domain, which contains the phosphorylated Y771 site.
3D structural model of the active TrkA (chain A) in complex with ATP, MG (chain L) and a segment PLC-gamma C-SH2 domain that contains the phosphorylated Y783 site (chain B). The IRK peptide (PDB ID: 1GAG) is superposed in the structure (chain C).
3D structural model of the active TrkA (chain A) in complex with ATP, MG (chain L) and bound to a second active TrkA (chain B) in a auto-phosphorylated state.
3D structural model of the PLC-gamma N-SH2 domain (chain A) in complex with the TrkA-derived peptide pQYP (chain B).
For further information, please contact:
- Helder V Ribeiro-Filho (helder.ribeiro@lnbio.cnpem.br)
- Deborah Schechtman (deborah@iq.usp.br)
- Paulo S Lopes-de-Olveira (paulo.olveiro@lnbio.cnpem.br)