Re: [ccp4bb] calculation of cavities within crystal protein

2012-08-10 Thread Dr. Lorenzo Finci
of a protein and the > surrounding proteins are considered in the calculation? > > I hope not too disturbing you. > > Danilo > > On Thu, 9 Aug 2012 10:05:19 -0400, "Dr. Lorenzo Finci" > wrote: > > Danilo, > > > > The protein cavity can be ana

Re: [ccp4bb] calculation of cavities within crystal protein

2012-08-09 Thread Dr. Lorenzo Finci
Danilo, The protein cavity can be analyzed utilizing the program Voidoo ( Kleywegt GJ, 1994). This program uses an atomic-flattening algorithm based on a 3-dimensional grid to locate and delineate different cavities. A Van Der Waals cavity can further be generated with a probe radius with a co

[ccp4bb] Protein-Protein Interactions

2012-08-02 Thread Dr. Lorenzo Finci
Dear Colleagues, I have a question for all of you bioinformatics oriented structural biologists: How do I predict the sites of protein-protein interactions between two receptors that have been proven to interact biochemically but lack specific details regarding proximity. This is not a straigh

Re: [ccp4bb] off topic Thermal shift assay

2012-07-20 Thread Dr. Lorenzo Finci
Dr. Lorenzo Finci wrote:

Re: [ccp4bb] off topic Thermal shift assay

2012-07-19 Thread Dr. Lorenzo Finci
Anita, In terms of the basics:Thermodynamic stability of a protein is related to Gibbs Free Energy of unfolding. The Gibbs Free Energy is made of temperature, enthalpy and entropy (Delta G = Delta H - T Delta S). At Delta G equivalent to zero, the concentration of folded protein is equivalent

Re: [ccp4bb] Disulphide bonds and closed conformation

2012-07-11 Thread Dr. Lorenzo Finci
Jan, I agree that the DTNB assay (Ellman's Reagent) can be used to quantify exposed Cysteines. Alternatively, you could do site directed mutagenesis and mutate significant amino acids responsible for the conformational change from the open to the closed state, with hopes to lock the protein in