Re: [ccp4bb] Off topic: Homology modeling

2014-05-25 Thread Alex Perálvarez Marín
Dear Theresa, Use as many prediction softwares as possible. First I would go for transmembrane topology prediction, try at least tmhmm, dgpred or topcons to see if they agree on the number of tm's that will be indicative of the fold. Topcons, octopus, will tell you if there is any re-entrant loop,

Re: [ccp4bb] Off topic: Homology modeling

2014-05-22 Thread Eric Bennett
One possible outcome is: (a) if the two proteins bind similar ligands and (b) you know which part of the xray structure of the solved protein is binding the ligand and (c) you can use this information to tweak the alignment and determine that there is higher identity/similarity in the ligand bin

Re: [ccp4bb] Off topic: Homology modeling

2014-05-22 Thread Joel Tyndall
: [ccp4bb] Off topic: Homology modeling Dear all I am working with a membrane protein without known structure. The closest protein in PDB has 10% sequence identity/25% similarity to my protein. What is the best method and software to do homology modeling while I try to get the crystal? Is the ligand

[ccp4bb] Off topic: Homology modeling

2014-05-22 Thread Theresa Hsu
Dear all I am working with a membrane protein without known structure. The closest protein in PDB has 10% sequence identity/25% similarity to my protein. What is the best method and software to do homology modeling while I try to get the crystal? Is the ligand binding site prediction reliable?