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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
3wcz NAP Aldo-keto reductase AKR2E4

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3wcz NAPAldo-keto reductase AKR2E4 / 1.629
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.160
2bgs NDPAldose reductase 1.1.1.21 1.096
3h7r NAPAldo-keto reductase family 4 member C8 / 1.091
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.059
2iq0 NAPAldose reductase 1.1.1.21 1.051
1x98 NAPAldose reductase 1.1.1.21 1.048
2acu NAPAldose reductase 1.1.1.21 1.041
4jtq NAPAldo-keto reductase family 1 member C2 / 1.038
1ef3 NAPAldose reductase 1.1.1.21 1.037
2acs NAPAldose reductase 1.1.1.21 1.024
2pev NDPAldose reductase 1.1.1.21 1.018
2pf8 NDPAldose reductase 1.1.1.21 1.018
2vdg NDPAldose reductase 1.1.1.21 1.016
4jq3 NAPAldo-keto reductase family 1 member C2 / 1.014
1z8a NAPAldose reductase 1.1.1.21 1.013
4l1x NAPAldo-keto reductase family 1 member C2 / 1.003
2acq NAPAldose reductase 1.1.1.21 1.002
1ads NAPAldose reductase 1.1.1.21 0.998
2j8t NAPAldose reductase 1.1.1.21 0.983
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.966
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.957
1x96 NAPAldose reductase 1.1.1.21 0.953
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.925
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.924
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.922
3q67 NAPAldose reductase 1.1.1.21 0.922
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.921
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.919
3v36 NAPAldose reductase 1.1.1.21 0.910
4g5d NDPProstaglandin F synthase 1.1.1.188 0.910
1s1p NAPAldo-keto reductase family 1 member C3 / 0.902
1zgd NAPChalcone reductase / 0.902
5c7h NDPPutative oxidoreductase / 0.902
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.901
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.896
1az2 NAPAldose reductase 1.1.1.21 0.895
2pfh NDPAldose reductase 1.1.1.21 0.890
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.880
1ah4 NAPAldose reductase 1.1.1.21 0.870
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.861
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.854
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.853
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.850
1s1r NAPAldo-keto reductase family 1 member C3 / 0.849
4pmj NAPPutative oxidoreductase / 0.843
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.841
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.837
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.830
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.822
2hdj NDPAldo-keto reductase family 1 member C2 / 0.821
3q65 NAPAldose reductase 1.1.1.21 0.800
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.798
3ln3 NADAldo-keto reductase family 1 member C13 / 0.797
1c9w NAPAldose reductase-related protein 2 / 0.793
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.786
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.780
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.778
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.771
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.758
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.750
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.747
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.726
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.714
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.708
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.706
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.705
4yau 2AMNADPH--cytochrome P450 reductase / 0.669
4yal 2AMNADPH--cytochrome P450 reductase / 0.667
2vnj NAPNADPH:ferredoxin reductase / 0.661
4y7c NAPNADPH--cytochrome P450 reductase / 0.660
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.655
4yaf 2AMNADPH--cytochrome P450 reductase / 0.654
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.652
2olq ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.652
4yaw 2AMNADPH--cytochrome P450 reductase / 0.652
1og6 NAPOxidoreductase YdhF 1 0.651
4ubs DIFPentalenic acid synthase 1.14.15.11 0.650