title: Moment invariants as shape recognition technique for comparing protein binding sites.
abstract: BACKGROUND
  An approach for identifying similarities of protein-protein binding sites is presented. The geometric shape of a binding site is described by computing a feature vector based on moment invariants. In order to search for similarities, feature vectors of binding sites are compared. Similar feature vectors indicate binding sites with similar shapes.
  
  
  RESULTS
  The approach is validated on a representative set of protein-protein binding sites, extracted from the SCOPPI database. When querying binding sites from a representative set, we search for known similarities among 2819 binding sites. A median area under the ROC curve of 0.98 is observed. For half of the queries, a similar binding site is identified among the first two of 2819 when sorting all binding sites according the proposed similarity measure. Typical examples identified by this method are analyzed and discussed. The nitrogenase iron protein-like SCOP family is clustered hierarchically according to the proposed similarity measure as a case study.
  
  
  BACKGROUND
  Python code is available on request from the authors.
authors.affiliation: Max-Planck-Institute for Informatics, Stuhlsatzenhausweg 85, 66123 Saarbrücken, Germany. sommer@mpi-inf.mpg.de
authors.forename: Ingolf
authors.initials: I
authors.lastname: Sommer
authors.forename: Oliver
authors.initials: O
authors.lastname: Müller
authors.forename: Francisco S
authors.initials: FS
authors.lastname: Domingues
authors.forename: Oliver
authors.initials: O
authors.lastname: Sander
authors.forename: Joachim
authors.initials: J
authors.lastname: Weickert
authors.forename: Thomas
authors.initials: T
authors.lastname: Lengauer
mesh_terms: D000465:Algorithms; D000595:Amino Acid Sequence; D001185:Artificial Intelligence; D001665:Binding Sites; D003198:Computer Simulation; D008956:Models, Chemical; D008958:Models, Molecular; D008969:Molecular Sequence Data; D010363:Pattern Recognition, Automated / Q000379:methods*; D011485:Protein Binding; D011487:Protein Conformation; D025941:Protein Interaction Mapping / Q000379:methods*; D012044:Regression Analysis; D016415:Sequence Alignment / Q000379:methods*; D020539:Sequence Analysis, Protein / Q000379:methods*