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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Interaction pattern similarity measured by Grim
You can zoom onto the graph by using the mouse to make a selection

Binding Modes are compared using Grim.
For more information, please see the following publication: Desaphy J. et al. Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs J. Chem. Inf. Model., 2013, 53 (3), pp 623-637
Binding modes are considered as similar when the similarity value is greater than 0.65


Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
3wg6 NDP NADPH-dependent conjugated polyketone reductase C1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 1.423
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 1.129
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.867
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.836
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.826
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.811
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.811
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.807
1c9w NAPAldose reductase-related protein 2 / 0.802
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.796
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.791
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.789
1x98 NAPAldose reductase 1.1.1.21 0.784
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.777
2hdj NDPAldo-keto reductase family 1 member C2 / 0.755
2pf8 NDPAldose reductase 1.1.1.21 0.752
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.751
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.751
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.750
5c7h NDPPutative oxidoreductase / 0.746
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.741
1ah4 NAPAldose reductase 1.1.1.21 0.733
1lqa NDPProtein tas / 0.731
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.727
2acq NAPAldose reductase 1.1.1.21 0.725
3h7r NAPAldo-keto reductase family 4 member C8 / 0.724
2j8t NAPAldose reductase 1.1.1.21 0.719
4jtq NAPAldo-keto reductase family 1 member C2 / 0.719
1og6 NAPOxidoreductase YdhF 1 0.715
1s1p NAPAldo-keto reductase family 1 member C3 / 0.710
2acu NAPAldose reductase 1.1.1.21 0.703
1x96 NAPAldose reductase 1.1.1.21 0.699
3q65 NAPAldose reductase 1.1.1.21 0.693
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.691
2iq0 NAPAldose reductase 1.1.1.21 0.690
4pmj NAPPutative oxidoreductase / 0.690
1z8a NAPAldose reductase 1.1.1.21 0.688
3v36 NAPAldose reductase 1.1.1.21 0.683
1ads NAPAldose reductase 1.1.1.21 0.681
3q67 NAPAldose reductase 1.1.1.21 0.680
4g5d NDPProstaglandin F synthase 1.1.1.188 0.679
2r9r NAPVoltage-gated potassium channel subunit beta-2 / 0.678
4l1x NAPAldo-keto reductase family 1 member C2 / 0.678
4dpy 2P0Mevalonate diphosphate decarboxylase / 0.675
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.674
3ln3 NADAldo-keto reductase family 1 member C13 / 0.671
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.670
2acs NAPAldose reductase 1.1.1.21 0.665
4xyb NDPFormate dehydrogenase / 0.663
1w5s ADPORC1-type DNA replication protein 2 / 0.660
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.659
3jyn NDPQuinone oxidoreductase / 0.657
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.656
1n9n FMNPutative blue light receptor / 0.654
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 0.651
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.650