Friday, 25 November 2011

3-D Structure Analysis-Sites & Motifs


The Catalytic Site Atlas (CSA) is a database documenting enzyme active sites and catalytic residues in enzymes of 3D structure. We defined a classification of catalytic residues which includes only those residues thought to be directly involved in some aspect of the reaction catalysed by an enzyme.
SuMo allows you to screen the Protein Data Bank (PDB) for finding ligand binding sites matching your protein structure or inversely, for finding protein structures matching a given site in your protein. This method is neither based on aminoacid sequence nor on fold comparisons.
All structures are reduced to matrices that contain just enough information to define a fold, so the definition is general and large deviations in coordinates are tolerated. A user supplies a matrix for a motif, and ProSMoS lists all structures that exactly match this motif.
Multiple alignment of protein binding sites recognizes spatial chemical binding patterns common to a Set of protein Structures.
SiteEngine recognizes regions on the surface of one protein that resemble a specific binding site of another.
Patterns In Non-homologous Tertiary Structures. PINTS finds similarities between protein structures consisting of amino acids that are close in space, but not necessarily close or co-linear in sequence (local structural patterns, for example the catalytic triad). Unlike other tools, PINTS does not aim to find proteins adopting a similar fold.
FunClust is a web server for the identification of local functional motifs in a set of non homologous protein structures
The LabelHash suite of programs and scripts can be used to match point-based structural motifs to a set of target proteins. A motif is defined by the C-alpha positions of a number of residues. Associated with each motif point is a number of allowed residue labels.
RASMOT-3D PRO searches in protein structure files for proteins possessing a group of residues in a topology similar to that adopted by a 3D motif given in input.
Compare binding sites of proteins.
Given a set of motifs and a reference sequence, seeMotif helps to visualize and exploring these motifs in appropriate structures selected based on a reference sequence.
ProtMot, a PROTeins MOTif analysis tool. This web site analyzes structure of proteins and output the list of hydrogen bonding patterns network motifs. The list of motifs, a superset of the secondary structures, is shown both projected on the protein structure and as a network motif significance profile (SP), a chart which gives the occurrences of each motif in the protein.

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