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. 2014 Jan 30;47(Pt 1):360–364. doi: 10.1107/S1600576713031014

Table 2. Comparison of search results for cell (80.36, 80.36, 99.44, 90, 90, 120) from entry 1u4j in space group R3 (see Le Trong Stenkamp, 2007).

In each case the PDB code (Bernstein etal., 1977; Berman etal., 2000) found is shown with the distance metric for that method. In the case of Nearest-Cell (Ramraj etal., 2011), a second column with the square root of the metric is provided as well. The results are sorted by the NCDist distance. Results have been cut off at 3.5 in the NCDist metric. The three alternative cells cited by Le Trong Stenkamp (2007) are in bold and marked with an asterisk (*). The Nearest-Cell (‘N-C’) results are from the http://www.strubi.ox.ac.uk/nearest-cell/nearest-cell.cgi web site. The V7, NCDist (‘NCD’), Inline graphic and Inline graphic results are from SAUC.

PDB ID N-C 3(N-C)1/2 NCD V7 L 1 L 2 Molecule EC code
1u4j* 0.0 0.0 0.0 0.0 0.0 0.0 Phospholipase A2 isoform 2 3.1.1.4
1g0z 0 0 0 0 0 0 Phospholipase A2 3.1.1.4
1g2x* 0.1 1.0 0.9 0.2 0.4 0.5 Phospholipase A2 3.1.1.4
2osn     0.9 0.2 0.4 0.5 Phospholipase A2 isoform 3 3.1.1.4
2cmp 0.3 1.7 1.5 0.7 1.3 1.5 Terminase small subunit  
3kp8 0.43 0.66 1.1 1.7 1.5 1.8 VKORC1/thioredoxin domain protein  
3mij     1.7 1.0 0.8 0.8 RNA [5-R(*UP*AP*GP*GP*GP*UP*UP*AP*GP*GP*GP*U)-3]  
3e56 0.4 1.9 1.9 1.6 1.5 1.5 Putative uncharacterized protein  
1csq 0.5 2.1 2.0 1.8 1.2 1.6 Cold shock protein B (CSPB)  
4den     2.1 2.0 2.0 2.0 Actinohivin  
3svi 0.5 2.2 2.1 1.9 1.5 1.8 Type III effector HopAB2  
1fkf 0.8 2.7 2.4 2.7 2.4 2.9 FK506 binding protein 5.2.1.8
1fkj 0.8 2.7 2.4 2.7 2.4 2.9 FK506 binding protein 5.2.1.8
1fkd 0.9 2.8 2.5 2.8 2.5 3.0 FK506 binding protein 5.2.1.8
1bkf 0.9 2.9 2.5 2.8 3.1 3.4 Subtilisin Carlsberg 3.4.21.62
2fke 0.9 2.9 2.6 3.0 2.5 3.1 FK506 binding protein 5.2.1.8
3tjy 0.9 2.8 2.6 3.0 2.5 2.9 Effector protein HopAB3  
2i5l 1.1 3.1 2.7 3.7 4.3 4.4 Cold shock protein CSPB  
3p63 1.3 3.4 2.9 4.0 4.4 4.9 Ferredoxin  
2wce 1.2 3.3 3.0 3.5 5.9 6.4 Protein S100-A12  
4sga 1.4 3.5 3.1 4.8 5.7 5.8 Proteinase A (SGPA) 3.4.21.80
2cxd 1.4 3.5 3.1 4.8 4.7 5.4 Conserved hypothetical protein, TTHA0068  
5sga 1.4 3.5 3.1 4.9 5.8 5.9 Proteinase A (SGPA) 3.4.21.80
2sga 1.4 3.6 3.1 4.9 5.8 5.9 Proteinase A 3.4.21.80
3sga 1.4 3.6 3.1 5.0 5.9 6.0 Proteinase A (SGPA) 3.4.21.80
1f9p 1.4 3.5 3.1 4.7 4.1 4.8 Connective tissue activating peptide III  
2yzu     3.1 4.8 6.3 6.7 Thioredoxin  
1sgc 1.5 3.7 3.2 5.2 6.2 6.3 Proteinase A 3.4.21.80
1pkr 1.4 3.6 3.2 4.7 3.9 4.9 Plasminogen 3.4.21.7
1gus 1.2 3.2 3.2 0.3 3.4 4.6 Molybdate binding protein II  
2vri 1.5 3.7 3.2 5.2 5.0 5.7 Non-structural protein 3 3.4.19.12
2cvk     3.2 5.2 7.0 7.3 Thioredoxin  
2c9q 1.5 3.6 3.3 4.8 4.6 4.9 Copper resistance protein C  
1fe5* 1.2 3.3 3.3 2.3 6.0 7.0 Phospholipase A2 3.1.1.4
1dpy 1.2 3.3 3.3 2.3 6.0 7.0 Phospholipase A2 3.1.1.4
2he2 1.5 3.6 3.3 4.8 4.5 5.1 Discs large homolog 2  
3su6 1.5 3.7 3.3 5.0 4.5 5.4 NS3 protease, NS4A protein  
1cdc     3.3 4.9 4.3 5.4 CD2  
1gut 1.2 3.3 3.3 0.1 3.4 4.8 Molybdate binding protein II  
2it5 1.6 3.8 3.3 5.6 5.7 6.4 CD209 antigen, DCSIGN-CRD  
3su5 1.6 3.8 3.3 5.1 4.8 5.7 NS3 protease, NS4A protein  
3su1 1.6 3.8 3.3 5.2 4.7 5.7 Genome polyprotein  
3su2 1.6 3.8 3.3 5.2 4.7 5.6 Genome polyprotein  
3cyo     3.4 5.6 7.6 7.9 Transmembrane protein  
1sl4 1.7 3.9 3.4 5.8 6.2 6.8 mDC-SIGN1B type I isoform  
3su3 1.6 3.8 3.4 5.3 4.9 5.9 NS3 protease, NS4A protein  
2it6 1.7 3.9 3.4 6.0 6.4 7.0 CD209 antigen  
3sv7 1.7 3.9 3.5 5.6 5.5 6.4 NS3 protease, NS4A protein