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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
2p5n NDP Aldo-keto reductase family 1 member C21 1.1.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 1.468
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 1.327
4jtq NAPAldo-keto reductase family 1 member C2 / 0.876
1s1r NAPAldo-keto reductase family 1 member C3 / 0.874
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.869
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.839
3h7r NAPAldo-keto reductase family 4 member C8 / 0.834
1s1p NAPAldo-keto reductase family 1 member C3 / 0.827
2hdj NDPAldo-keto reductase family 1 member C2 / 0.826
3ln3 NADAldo-keto reductase family 1 member C13 / 0.813
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.810
4l1x NAPAldo-keto reductase family 1 member C2 / 0.805
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.804
1ef3 NAPAldose reductase 1.1.1.21 0.803
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.788
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.786
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.772
2acq NAPAldose reductase 1.1.1.21 0.753
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.742
3q65 NAPAldose reductase 1.1.1.21 0.733
2iq0 NAPAldose reductase 1.1.1.21 0.727
4pmj NAPPutative oxidoreductase / 0.726
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.719
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.719
3v36 NAPAldose reductase 1.1.1.21 0.718
2acu NAPAldose reductase 1.1.1.21 0.716
1ads NAPAldose reductase 1.1.1.21 0.715
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.711
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.710
3lut NAPVoltage-gated potassium channel subunit beta-2 / 0.707
2pfh NDPAldose reductase 1.1.1.21 0.701
2acs NAPAldose reductase 1.1.1.21 0.699
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 0.698
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.695
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.692
1ah4 NAPAldose reductase 1.1.1.21 0.690
2vdg NDPAldose reductase 1.1.1.21 0.686
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.684
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.682
3q67 NAPAldose reductase 1.1.1.21 0.681
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.680
5c7h NDPPutative oxidoreductase / 0.680
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.679
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.677
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.675
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.675
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.675
3gwd NAPCyclohexanone monooxygenase / 0.675
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.674
1og6 NAPOxidoreductase YdhF 1 0.674
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.674
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.671
4g5d NDPProstaglandin F synthase 1.1.1.188 0.670
1x98 NAPAldose reductase 1.1.1.21 0.668
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.665
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.660
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.660
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.659
2pev NDPAldose reductase 1.1.1.21 0.658
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.656
3wcz NAPAldo-keto reductase AKR2E4 / 0.655
2pf8 NDPAldose reductase 1.1.1.21 0.654
5a02 NAPGlucose-fructose oxidoreductase / 0.653
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.652