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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
1s1p NAP Aldo-keto reductase family 1 member C3

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1s1p NAPAldo-keto reductase family 1 member C3 / 1.545
4dz5 NAPAldo-keto reductase family 1 member C3 / 1.507
1s1r NAPAldo-keto reductase family 1 member C3 / 1.484
4jtq NAPAldo-keto reductase family 1 member C2 / 1.376
4l1x NAPAldo-keto reductase family 1 member C2 / 1.354
4xo7 NAPAldo-keto reductase family 1 member C2 / 1.337
4jq3 NAPAldo-keto reductase family 1 member C2 / 1.312
2hdj NDPAldo-keto reductase family 1 member C2 / 1.098
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.097
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.089
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 1.077
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.067
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.067
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.052
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.023
4pmj NAPPutative oxidoreductase / 0.984
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.974
2acu NAPAldose reductase 1.1.1.21 0.952
1x98 NAPAldose reductase 1.1.1.21 0.944
2j8t NAPAldose reductase 1.1.1.21 0.944
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.937
2vdg NDPAldose reductase 1.1.1.21 0.936
2acq NAPAldose reductase 1.1.1.21 0.910
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.909
2acs NAPAldose reductase 1.1.1.21 0.909
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.908
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.904
3wcz NAPAldo-keto reductase AKR2E4 / 0.902
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.897
1x96 NAPAldose reductase 1.1.1.21 0.891
2iq0 NAPAldose reductase 1.1.1.21 0.890
1ads NAPAldose reductase 1.1.1.21 0.889
5c7h NDPPutative oxidoreductase / 0.887
3q65 NAPAldose reductase 1.1.1.21 0.885
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.882
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.879
2pf8 NDPAldose reductase 1.1.1.21 0.871
2pfh NDPAldose reductase 1.1.1.21 0.870
2pev NDPAldose reductase 1.1.1.21 0.862
1z8a NAPAldose reductase 1.1.1.21 0.859
3v36 NAPAldose reductase 1.1.1.21 0.859
3h7r NAPAldo-keto reductase family 4 member C8 / 0.858
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.854
4g5d NDPProstaglandin F synthase 1.1.1.188 0.849
2bgs NDPAldose reductase 1.1.1.21 0.830
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.827
3ln3 NADAldo-keto reductase family 1 member C13 / 0.827
1ef3 NAPAldose reductase 1.1.1.21 0.823
1ah4 NAPAldose reductase 1.1.1.21 0.816
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.811
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.803
1az2 NAPAldose reductase 1.1.1.21 0.798
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.794
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.789
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.786
3q67 NAPAldose reductase 1.1.1.21 0.785
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.781
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.773
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.762
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.761
1zgd NAPChalcone reductase / 0.755
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.743
1c9w NAPAldose reductase-related protein 2 / 0.712
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.712
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.710
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.705
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.697
1lqa NDPProtein tas / 0.694
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.693
1pz0 NAPProtein IolS 1.1.1 0.692
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.692
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.684
2r9r NAPVoltage-gated potassium channel subunit beta-2 / 0.680
2wzm NA7Uncharacterized oxidoreductase MSMEG_2407/MSMEI_2346 / 0.680
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.675
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.656
3tn7 NJPShort-chain alcohol dehydrogenase / 0.652