skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Comprehensive inventory of protein complexes in the Protein Data Bank from consistent classification of interfaces

Journal Article · · BMC Bioinformatics
 [1];  [2]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Mayo Clinic, Scottsdale, AZ (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Here, protein-protein interactions are ubiquitous and essential for cellular processes. High-resolution X-ray crystallographic structures of protein complexes can elucidate the details of their function and provide a basis for many computational and experimental approaches. Here we demonstrate that existing annotations of protein complexes, including those provided by the Protein Data Bank (PDB) itself, contain a significant fraction of incorrect annotations. Results: We have developed a method for identifying protein complexes in the PDB X-ray structures by a four step procedure: (1) comprehensively collecting all protein-protein interfaces; (2) clustering similar protein-protein interfaces together; (3) estimating the probability that each cluster is relevant based on a diverse set of properties; and (4) finally combining these scores for each entry in order to predict the complex structure. Unlike previous annotation methods, consistent prediction of complexes with identical or almost identical protein content is insured. The resulting clusters of biologically relevant interfaces provide a reliable catalog of evolutionary conserved protein-protein interactions.

Research Organization:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
Grant/Contract Number:
AC05-00OR22725
OSTI ID:
1263826
Journal Information:
BMC Bioinformatics, Vol. 9, Issue 1; ISSN 1471-2105
Publisher:
BioMed CentralCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 26 works
Citation information provided by
Web of Science

References (36)

Principles of protein-protein interactions. journal January 1996
Electrostatic aspects of protein–protein interactions journal April 2000
Structural Characterisation and Functional Significance of Transient Protein–Protein Interactions journal January 2003
Statistical analysis and prediction of protein-protein interfaces journal May 2005
Protein docking using surface matching and supervised machine learning journal April 2007
Interrogating protein interaction networks through structural biology journal April 2002
MULTIPROSPECTOR: An algorithm for the prediction of protein-protein interactions by multimeric threading journal October 2002
Discriminating between homodimeric and monomeric proteins in the crystalline state journal July 2000
Conservation helps to identify biologically relevant crystal contacts journal October 2001
A Dissection of Specific and Non-specific Protein–Protein Interfaces journal February 2004
Automatic inference of protein quaternary structure from crystals journal September 2003
PQS: a protein quaternary structure file server journal September 1998
Inference of Macromolecular Assemblies from Crystalline State journal September 2007
PIBASE: a comprehensive database of structurally defined protein interfaces journal January 2005
PROTCOM: searchable database of protein complexes enhanced with domain-domain structures journal January 2007
3D Complex: A Structural Classification of Protein Complexes journal January 2006
PRISM: protein interactions by structural matching journal July 2005
3did: interacting protein domains of known three-dimensional structure journal December 2004
SNAPPI-DB: a database and API of Structures, iNterfaces and Alignments for Protein-Protein Interactions journal January 2007
SCOPPI: a structural classification of protein-protein interfaces journal January 2006
Dictionary of protein secondary structure: Pattern recognition of hydrogen-bonded and geometrical features journal December 1983
Gapped BLAST and PSI-BLAST: a new generation of protein database search programs journal September 1997
Cd-hit: a fast program for clustering and comparing large sets of protein or nucleotide sequences journal May 2006
MUSCLE: multiple sequence alignment with high accuracy and high throughput journal March 2004
A new, structurally nonredundant, diverse data set of protein-protein interfaces and its implications journal April 2004
The Pfam protein families database journal January 2004
The Universal Protein Resource (UniProt) journal January 2007
EMBOSS: The European Molecular Biology Open Software Suite journal June 2000
Specific versus non-specific contacts in protein crystals journal December 1997
Protein-protein interactions: A review of protein dimer structures journal January 1995
Hydrogen bonds and salt bridges across protein-protein interfaces journal September 1997
Basis of biological specificity journal April 1984
iPfam: visualization of protein-protein interactions in PDB at domain and amino acid resolutions journal September 2004
Inferring Domain-Domain Interactions From Protein-Protein Interactions journal October 2002
Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion journal September 2020
Phosphorylated peptide of G protein-coupled receptor induces dimerization in activated arrestin text January 2020

Cited By (15)

Serum metabolomics reveals the deregulation of fatty acids metabolism in hepatocellular carcinoma and chronic liver diseases journal February 2012
Visualization of macromolecular structures journal March 2010
The protein common interface database (ProtCID)--a comprehensive database of interactions of homologous proteins in multiple crystal forms journal October 2010
Protein interface classification by evolutionary analysis journal January 2012
IDDI: integrated domain-domain interaction and protein interaction analysis system journal January 2012
Non-Redundant Unique Interface Structures as Templates for Modeling Protein Interactions journal January 2014
Protein interface classification by evolutionary analysis text January 2012
Thermophilic Adaptation of Protein Complexes Inferred from Proteomic Homology Modeling journal January 2010
DASMI: exchanging, annotating and assessing molecular interaction data journal May 2009
DASMIweb: online integration, analysis and assessment of distributed protein interaction data journal June 2009
BISC: Binary SubComplexes in proteins database journal November 2010
The Domain Landscape of Virus-Host Interactomes journal January 2014
Predicting protein-protein binding sites in membrane proteins journal September 2009
Alternative splicing tends to avoid partial removals of protein-protein interaction sites journal June 2013
Comparison of tertiary structures of proteins in protein-protein complexes with unbound forms suggests prevalence of allostery in signalling proteins journal May 2012

Similar Records

Investigation of protein quaternary structure via stoichiometry and symmetry information
Journal Article · Mon Jun 04 00:00:00 EDT 2018 · PLoS ONE · OSTI ID:1263826

Automated evaluation of quaternary structures from protein crystals
Journal Article · Mon Apr 30 00:00:00 EDT 2018 · PLoS Computational Biology (Online) · OSTI ID:1263826

Macromolecular recognition in the Protein Data Bank
Journal Article · Mon Jan 01 00:00:00 EST 2007 · Acta Crystallographica. Section D: Biological Crystallography · OSTI ID:1263826

Related Subjects