![]() Unfavorable solvation energy and IF2 has a very ![]() Somewhat unstable (Kd ~ 1-10 uM) IF1 is more stable. Not much can be added to this picture, but after SEQMOL isĪdditional and very non-intuitive information Picture above is crystal packing of one of CDK2 kinase complexes. Usually can identify stable or weak complexes And vice versa,Ĭontacts are extensive and appear stable. Some have unfavorable desolvation energy. To tell non-specific crystal packing contacts from trueĬomplexes have mismatched electrostatics some don't bury (ASA burial), at solvation, and sometimes at electrostatic complementarity Present it is accepted to sometimes look at burial of accessible surface area Unfortunately, measuring individual Kd of crystal Interfaces are real and biologically important Ifįor each interface in a protein crystal, we would be able ** Perhaps this is where SEQMOL use is particularly appealing. Kd along with a comprehensive interface analysis is produced inįor multiple-PDB jobs, such as scoring of decoys from dockingīatch PDB processing is done automatically if more than one PDB A PDB file is DragDropped onto theĪpplication. User-friendly and usually fast (seconds-minutes for Module for PDB complexes and crystal contacts Protein/Protein and rather accurate protein/RNA binding sites predictions module PDB surface solvation (by water) and Coulomb ![]() Maker and editor of multiple sequence alignments ![]() PDB coordinates to yield insights that could Many of the features do not use multiple sequence Protein-DNA interface propensity, and conservations Physical covariation, protein-protein interface, Hydrophobicity conservation, conformational SEQMOL is a PDB structure analysis suite.īe used to align multiple protein and DNAĪttributes of multiple sequence alignments Software for Deep Analysis of PDB Structures and Mechanism Discovery ![]()
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