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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
1vp5 NAP Oxidoreductase, aldo/keto reductase family

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1vp5 NAPOxidoreductase, aldo/keto reductase family / 1.393
5c7h NDPPutative oxidoreductase / 1.202
4pmj NAPPutative oxidoreductase / 1.130
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.097
2bgs NDPAldose reductase 1.1.1.21 1.087
2acs NAPAldose reductase 1.1.1.21 1.086
3h7r NAPAldo-keto reductase family 4 member C8 / 1.071
2iq0 NAPAldose reductase 1.1.1.21 1.065
2acu NAPAldose reductase 1.1.1.21 1.061
4g5d NDPProstaglandin F synthase 1.1.1.188 1.061
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.060
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.044
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.034
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.026
1x98 NAPAldose reductase 1.1.1.21 1.004
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.988
2pev NDPAldose reductase 1.1.1.21 0.979
1ah4 NAPAldose reductase 1.1.1.21 0.977
2j8t NAPAldose reductase 1.1.1.21 0.977
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.972
1x96 NAPAldose reductase 1.1.1.21 0.971
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.971
1ads NAPAldose reductase 1.1.1.21 0.970
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.960
1z8a NAPAldose reductase 1.1.1.21 0.957
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.955
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.951
4l1x NAPAldo-keto reductase family 1 member C2 / 0.950
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.945
3q65 NAPAldose reductase 1.1.1.21 0.944
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.931
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.930
1ef3 NAPAldose reductase 1.1.1.21 0.928
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.924
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.916
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.911
3v36 NAPAldose reductase 1.1.1.21 0.910
1s1p NAPAldo-keto reductase family 1 member C3 / 0.908
2hdj NDPAldo-keto reductase family 1 member C2 / 0.907
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.907
3wcz NAPAldo-keto reductase AKR2E4 / 0.901
2vdg NDPAldose reductase 1.1.1.21 0.897
1s1r NAPAldo-keto reductase family 1 member C3 / 0.890
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.889
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.889
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.886
2acq NAPAldose reductase 1.1.1.21 0.881
2pfh NDPAldose reductase 1.1.1.21 0.881
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.876
3q67 NAPAldose reductase 1.1.1.21 0.873
1az2 NAPAldose reductase 1.1.1.21 0.856
2pf8 NDPAldose reductase 1.1.1.21 0.854
1zgd NAPChalcone reductase / 0.821
1c9w NAPAldose reductase-related protein 2 / 0.820
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.759
3ln3 NADAldo-keto reductase family 1 member C13 / 0.751
4jtq NAPAldo-keto reductase family 1 member C2 / 0.750
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.745
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.742
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.704
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.701
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.698
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.695
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.692
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.681
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.662
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.651
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.651
4jtc NAPVoltage-gated potassium channel subunit beta-2 / 0.651