Creation of homology models of various tubulins from dinitroaniline-sensitive and -resistant species, and a comparative analysis of their electrostatic potential grids overall and in putative binding site regions using PIPSA (Protein Interaction Property Similarity Analysis).
Submitter: Ina Poehner
Biological problem addressed: Model Analysis Type
Investigation: Antiparasitic dinitroaniline-ether phospholipid...
Organisms: Trypanosoma cruzi, Trypanosoma brucei, Leishmania infantum, Leishmania donovani, Leishmania major
Models: No Models
SOPs: SOP Homology modeling of alpha-tubulins, SOP PIPSA, SOP tubulin protein preparation
Data files: Archive of PIPSA results, Archive of alpha-tubulin homology models
Snapshots: No snapshots
This archive contains all results of the PIPSA analysis run in zipped form. It contains the following subfolders:
- apbs: Computed electrostatic potential grids, all log files and similarity matrices for the full protein and all sites.
- pdb2pqr: PQR files: conversion results after processing uploaded PDB files with pdb2pqr
- pdbs: Original uploaded PDB files
The following sites have been analyzed (provided are site center (based on T. cruzi model, Ca of the residue) and the sphere radius):
Blume ...
Creators: Ina Poehner, Rebecca Wade
Submitter: Ina Poehner
General SOP for the webPIPSA workflow to study electrostatic potential differences of full alpha-tubulin homology models and various putative binding site regions
Creators: Ina Poehner, Rebecca Wade
Submitter: Ina Poehner