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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
3caq NDP 3-oxo-5-beta-steroid 4-dehydrogenase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 1.359
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.167
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.142
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.106
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.102
4jq3 NAPAldo-keto reductase family 1 member C2 / 1.098
4pmj NAPPutative oxidoreductase / 1.093
4l1x NAPAldo-keto reductase family 1 member C2 / 1.069
5c7h NDPPutative oxidoreductase / 1.068
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.067
4jtq NAPAldo-keto reductase family 1 member C2 / 1.064
4xo7 NAPAldo-keto reductase family 1 member C2 / 1.062
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.054
2bgs NDPAldose reductase 1.1.1.21 1.024
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 1.004
3h7r NAPAldo-keto reductase family 4 member C8 / 0.973
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.967
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.966
1ef3 NAPAldose reductase 1.1.1.21 0.960
1ads NAPAldose reductase 1.1.1.21 0.959
2acq NAPAldose reductase 1.1.1.21 0.942
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.939
2iq0 NAPAldose reductase 1.1.1.21 0.936
1z8a NAPAldose reductase 1.1.1.21 0.933
1x98 NAPAldose reductase 1.1.1.21 0.927
3v36 NAPAldose reductase 1.1.1.21 0.927
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.926
2acs NAPAldose reductase 1.1.1.21 0.922
2pev NDPAldose reductase 1.1.1.21 0.917
2pf8 NDPAldose reductase 1.1.1.21 0.916
2hdj NDPAldo-keto reductase family 1 member C2 / 0.914
3q65 NAPAldose reductase 1.1.1.21 0.914
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.909
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.908
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.908
1s1r NAPAldo-keto reductase family 1 member C3 / 0.894
2acu NAPAldose reductase 1.1.1.21 0.893
2pfh NDPAldose reductase 1.1.1.21 0.893
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.888
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.886
1s1p NAPAldo-keto reductase family 1 member C3 / 0.882
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.878
4g5d NDPProstaglandin F synthase 1.1.1.188 0.873
1az2 NAPAldose reductase 1.1.1.21 0.872
2j8t NAPAldose reductase 1.1.1.21 0.869
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.864
1x96 NAPAldose reductase 1.1.1.21 0.861
2vdg NDPAldose reductase 1.1.1.21 0.853
3q67 NAPAldose reductase 1.1.1.21 0.847
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.839
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.832
1ah4 NAPAldose reductase 1.1.1.21 0.818
1c9w NAPAldose reductase-related protein 2 / 0.801
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.800
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.797
1zgd NAPChalcone reductase / 0.785
3wcz NAPAldo-keto reductase AKR2E4 / 0.778
1og6 NAPOxidoreductase YdhF 1 0.762
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.761
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.761
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.751
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.751
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.739
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.739
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.731
3lut NAPVoltage-gated potassium channel subunit beta-2 / 0.727
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.716
1lqa NDPProtein tas / 0.711
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.708
3ln3 NADAldo-keto reductase family 1 member C13 / 0.707
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.701
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.701
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.696
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.694
2r9r NAPVoltage-gated potassium channel subunit beta-2 / 0.687
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.686
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.684
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.677
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.675
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.670