5 <title>SIFTS Mapping from UniProt for PDB Structures</title>
10 <strong>SIFTS Mapping for UniProt sequences and PDB
11 Structures</strong><br /> SIFTS (Structure Integration with Function,
12 Taxonomy and Sequences) is a database of residue-level mappings
13 between UniProt protein sequences, and protein structures found in
14 the PDB. The database is updated for each PDB release, and is
15 provided by the <a href="https://www.ebi.ac.uk/pdbe/docs/sifts/">PDBe
18 <p>When Jalview imports PDB data for a protein sequence found in
19 UniProt, either via the 'View 3D Structure...' option, or the 'Fetch
20 DB Refs' web services menu, Jalview will also download its SIFTS
21 record and use that information to construct a mapping between the
22 sequence and downloaded structure.</p>
23 <p>If, for some reason, no SIFTS mapping data exists, then Jalview
24 will generate a mapping using its built-in Needleman and Wunsch
25 global alignment algorithm. This method of mapping was used for all
26 structures prior to version 2.10.
28 <strong>Controlling and troubleshooting SIFTS mappings</strong> <br />
29 Configuration options controlling whether SIFTS mappings are used
30 can be found in the <strong>Tools → Preferences →
31 Structure tab</strong>, under 'Sequence ↔ Structure method'.<br /> <em>Note:</em>
32 Changing the configuration will only affect how new mappings are
33 created. In order to recompute mappings for structures already
34 loaded, please reload the sequence & structural data.
38 <strong>Multi-Chain Mappings</strong> <br />SIFTS gives Jalview the
39 ability to display multi-chain mappings between UniProt sequences
40 and PDB structure data. This is important when working with
41 multimeric proteins, since the biological unit will contain several
42 structures for the same protein sequence. Multi-chain mapping allows
43 all residues in a structure to be located in the alignment, and
44 also, when shading the structure by sequence colours, enables
45 conservation patterns between oligomer interfaces to be explored.
47 <p>To see this in action, load uniprot sequence for FER1_MAIZE
48 then veiw PDB structure for 3B2F, you will notice that mousing over
49 the sequence results to two positions being highlighted in the
50 structure, also colouring the sequence transfers the color to all
51 the mapped chains in the structure.</p>
54 <Strong>Viewing Mapping Output</Strong> <br /> The mapping provided
55 by the SIFTS record is accessible via <strong>File →
56 View mapping</strong> menu of the structure viewers. The screenshot below
57 is the mapping output for the <Strong>{FER1_MAIZE ↔
58 3B2F}</Strong> example described above, and confirms that all two chains
59 were mapped. The mapping method used can be seen within the area
60 highlighted with red boarder.
63  <img src="sifts_mapping_output.png" align="left"
64 alt="SIFTS mapping output" />
66 <em>SIFTS Mapping integration was added in Jalview 2.10</em>