Mapping PDB chains to UniProtKB entries

Bioinformatics. 2005 Dec 1;21(23):4297-301. doi: 10.1093/bioinformatics/bti694. Epub 2005 Sep 27.

Abstract

Motivation: UniProtKB/SwissProt is the main resource for detailed annotations of protein sequences. This database provides a jumping-off point to many other resources through the links it provides. Among others, these include other primary databases, secondary databases, the Gene Ontology and OMIM. While a large number of links are provided to Protein Data Bank (PDB) files, obtaining a regularly updated mapping between UniProtKB entries and PDB entries at the chain or residue level is not straightforward. In particular, there is no regularly updated resource which allows a UniProtKB/SwissProt entry to be identified for a given residue of a PDB file.

Results: We have created a completely automatically maintained database which maps PDB residues to residues in UniProtKB/SwissProt and UniProtKB/trEMBL entries. The protocol uses links from PDB to UniProtKB, from UniProtKB to PDB and a brute-force sequence scan to resolve PDB chains for which no annotated link is available. Finally the sequences from PDB and UniProtKB are aligned to obtain a residue-level mapping.

Availability: The resource may be queried interactively or downloaded from http://www.bioinf.org.uk/pdbsws/.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Amino Acid Sequence
  • Automation
  • Computational Biology / methods*
  • Database Management Systems
  • Databases, Factual
  • Databases, Protein*
  • Electronic Data Processing
  • Information Storage and Retrieval
  • Internet
  • Maps as Topic
  • Microtubule-Associated Proteins / chemistry
  • Models, Theoretical
  • Proteins / chemistry
  • Sequence Alignment
  • Sequence Analysis, Protein
  • Software

Substances

  • Microtubule-Associated Proteins
  • Proteins