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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
3wbw NDP Putative 2,5-diketo-D-gluconic acid reductase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 1.274
2iq0 NAPAldose reductase 1.1.1.21 1.033
2acq NAPAldose reductase 1.1.1.21 1.010
1ads NAPAldose reductase 1.1.1.21 0.985
1z8a NAPAldose reductase 1.1.1.21 0.971
2acs NAPAldose reductase 1.1.1.21 0.971
2j8t NAPAldose reductase 1.1.1.21 0.971
2pf8 NDPAldose reductase 1.1.1.21 0.971
1x98 NAPAldose reductase 1.1.1.21 0.970
2pev NDPAldose reductase 1.1.1.21 0.970
3q67 NAPAldose reductase 1.1.1.21 0.970
3v36 NAPAldose reductase 1.1.1.21 0.968
2acu NAPAldose reductase 1.1.1.21 0.966
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 0.966
1x96 NAPAldose reductase 1.1.1.21 0.955
4g5d NDPProstaglandin F synthase 1.1.1.188 0.947
1ah4 NAPAldose reductase 1.1.1.21 0.945
5c7h NDPPutative oxidoreductase / 0.944
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.924
2bgs NDPAldose reductase 1.1.1.21 0.915
4pmj NAPPutative oxidoreductase / 0.915
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.911
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.897
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.888
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.888
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.882
3h7r NAPAldo-keto reductase family 4 member C8 / 0.880
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.877
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.876
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.867
1az2 NAPAldose reductase 1.1.1.21 0.866
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.863
3wcz NAPAldo-keto reductase AKR2E4 / 0.861
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.858
4l1x NAPAldo-keto reductase family 1 member C2 / 0.856
1s1r NAPAldo-keto reductase family 1 member C3 / 0.854
1ef3 NAPAldose reductase 1.1.1.21 0.848
2pfh NDPAldose reductase 1.1.1.21 0.847
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.843
1c9w NAPAldose reductase-related protein 2 / 0.841
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.841
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.838
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.832
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.805
2vdg NDPAldose reductase 1.1.1.21 0.794
3q65 NAPAldose reductase 1.1.1.21 0.791
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.780
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.770
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.768
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.756
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.756
4jtq NAPAldo-keto reductase family 1 member C2 / 0.731
3ln3 NADAldo-keto reductase family 1 member C13 / 0.709
1s1p NAPAldo-keto reductase family 1 member C3 / 0.692
2hdj NDPAldo-keto reductase family 1 member C2 / 0.665
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.651