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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
3q65 NAP Aldose reductase 1.1.1.21

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3q65 NAPAldose reductase 1.1.1.21 1.609
1x96 NAPAldose reductase 1.1.1.21 1.432
1ads NAPAldose reductase 1.1.1.21 1.405
1x98 NAPAldose reductase 1.1.1.21 1.399
3v36 NAPAldose reductase 1.1.1.21 1.387
1z8a NAPAldose reductase 1.1.1.21 1.366
2pev NDPAldose reductase 1.1.1.21 1.361
2j8t NAPAldose reductase 1.1.1.21 1.356
2acs NAPAldose reductase 1.1.1.21 1.347
2pf8 NDPAldose reductase 1.1.1.21 1.347
3q67 NAPAldose reductase 1.1.1.21 1.342
2acq NAPAldose reductase 1.1.1.21 1.338
2iq0 NAPAldose reductase 1.1.1.21 1.336
2acu NAPAldose reductase 1.1.1.21 1.300
1ef3 NAPAldose reductase 1.1.1.21 1.266
1ah4 NAPAldose reductase 1.1.1.21 1.256
2pfh NDPAldose reductase 1.1.1.21 1.204
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.196
4pmj NAPPutative oxidoreductase / 1.163
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.145
2bgs NDPAldose reductase 1.1.1.21 1.111
3qkz NAPAldose reductase-related protein 1 1.1.1.21 1.073
1az2 NAPAldose reductase 1.1.1.21 1.059
5c7h NDPPutative oxidoreductase / 1.058
2vdg NDPAldose reductase 1.1.1.21 1.054
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 1.051
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.026
4g5d NDPProstaglandin F synthase 1.1.1.188 1.024
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.004
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.003
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.989
3h7r NAPAldo-keto reductase family 4 member C8 / 0.985
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.984
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.973
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.944
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.937
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.928
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.914
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.905
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.894
1s1p NAPAldo-keto reductase family 1 member C3 / 0.885
2hdj NDPAldo-keto reductase family 1 member C2 / 0.877
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.876
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.873
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.860
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.844
1s1r NAPAldo-keto reductase family 1 member C3 / 0.842
1zgd NAPChalcone reductase / 0.839
4jtq NAPAldo-keto reductase family 1 member C2 / 0.837
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.828
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.825
1c9w NAPAldose reductase-related protein 2 / 0.810
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.807
3wcz NAPAldo-keto reductase AKR2E4 / 0.800
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.791
4l1x NAPAldo-keto reductase family 1 member C2 / 0.790
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.786
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.775
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.773
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.756
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.740
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.733
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.716
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.695
1lqa NDPProtein tas / 0.693
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.693
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.689
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.687
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.685
3ln3 NADAldo-keto reductase family 1 member C13 / 0.681
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.679
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.674
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.673
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.655