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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
4g5d NDP Prostaglandin F synthase 1.1.1.188

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4g5d NDPProstaglandin F synthase 1.1.1.188 1.333
2j8t NAPAldose reductase 1.1.1.21 1.206
3q67 NAPAldose reductase 1.1.1.21 1.206
1z8a NAPAldose reductase 1.1.1.21 1.191
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.160
1x98 NAPAldose reductase 1.1.1.21 1.155
3v36 NAPAldose reductase 1.1.1.21 1.152
1x96 NAPAldose reductase 1.1.1.21 1.147
2iq0 NAPAldose reductase 1.1.1.21 1.133
2acq NAPAldose reductase 1.1.1.21 1.131
2bgs NDPAldose reductase 1.1.1.21 1.130
1ads NAPAldose reductase 1.1.1.21 1.128
2pev NDPAldose reductase 1.1.1.21 1.126
1ah4 NAPAldose reductase 1.1.1.21 1.107
2pf8 NDPAldose reductase 1.1.1.21 1.105
4pmj NAPPutative oxidoreductase / 1.072
1vp5 NAPOxidoreductase, aldo/keto reductase family / 1.061
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.044
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 1.034
2acs NAPAldose reductase 1.1.1.21 1.033
5c7h NDPPutative oxidoreductase / 1.027
3q65 NAPAldose reductase 1.1.1.21 1.024
1ef3 NAPAldose reductase 1.1.1.21 1.018
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.018
3h7r NAPAldo-keto reductase family 4 member C8 / 1.012
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.009
2acu NAPAldose reductase 1.1.1.21 1.007
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.006
2vdg NDPAldose reductase 1.1.1.21 1.005
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.989
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.981
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.975
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.975
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.967
2pfh NDPAldose reductase 1.1.1.21 0.962
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.955
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.947
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.938
2hdj NDPAldo-keto reductase family 1 member C2 / 0.935
4jtq NAPAldo-keto reductase family 1 member C2 / 0.930
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.926
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.924
4l1x NAPAldo-keto reductase family 1 member C2 / 0.911
3wcz NAPAldo-keto reductase AKR2E4 / 0.910
1s1r NAPAldo-keto reductase family 1 member C3 / 0.902
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.892
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.889
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.888
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.878
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.873
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.858
1s1p NAPAldo-keto reductase family 1 member C3 / 0.849
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.845
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.841
1c9w NAPAldose reductase-related protein 2 / 0.837
1zgd NAPChalcone reductase / 0.821
3ln3 NADAldo-keto reductase family 1 member C13 / 0.813
1az2 NAPAldose reductase 1.1.1.21 0.792
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.775
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.771
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.767
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.739
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.709
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.697
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.687
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.687
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.679
3lut NAPVoltage-gated potassium channel subunit beta-2 / 0.677
1lqa NDPProtein tas / 0.671
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.671
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.671
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.670
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.660
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.659
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.655