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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
4ijr NDP D-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 1.371
1x96 NAPAldose reductase 1.1.1.21 1.141
2iq0 NAPAldose reductase 1.1.1.21 1.125
3v36 NAPAldose reductase 1.1.1.21 1.113
1ads NAPAldose reductase 1.1.1.21 1.109
1x98 NAPAldose reductase 1.1.1.21 1.109
1ah4 NAPAldose reductase 1.1.1.21 1.094
2acs NAPAldose reductase 1.1.1.21 1.094
1z8a NAPAldose reductase 1.1.1.21 1.091
2j8t NAPAldose reductase 1.1.1.21 1.091
3q67 NAPAldose reductase 1.1.1.21 1.089
2acq NAPAldose reductase 1.1.1.21 1.082
2pev NDPAldose reductase 1.1.1.21 1.062
3q65 NAPAldose reductase 1.1.1.21 1.051
2acu NAPAldose reductase 1.1.1.21 1.048
2pf8 NDPAldose reductase 1.1.1.21 1.048
2bgs NDPAldose reductase 1.1.1.21 1.045
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.039
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.020
4pmj NAPPutative oxidoreductase / 0.998
5c7h NDPPutative oxidoreductase / 0.996
1ef3 NAPAldose reductase 1.1.1.21 0.983
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.983
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.975
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.975
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.966
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.965
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.956
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.948
2pfh NDPAldose reductase 1.1.1.21 0.943
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.931
2vdg NDPAldose reductase 1.1.1.21 0.928
4g5d NDPProstaglandin F synthase 1.1.1.188 0.926
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.925
3h7r NAPAldo-keto reductase family 4 member C8 / 0.924
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.909
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.906
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.892
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.888
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.888
1c9w NAPAldose reductase-related protein 2 / 0.878
4jtq NAPAldo-keto reductase family 1 member C2 / 0.878
3wcz NAPAldo-keto reductase AKR2E4 / 0.854
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.846
1zgd NAPChalcone reductase / 0.836
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.832
2hdj NDPAldo-keto reductase family 1 member C2 / 0.824
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.822
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.819
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.811
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.806
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.796
4l1x NAPAldo-keto reductase family 1 member C2 / 0.787
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.778
1az2 NAPAldose reductase 1.1.1.21 0.776
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.770
1pz1 NAPGeneral stress protein 69 / 0.766
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.764
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.764
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.762
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.762
1s1p NAPAldo-keto reductase family 1 member C3 / 0.761
1s1r NAPAldo-keto reductase family 1 member C3 / 0.755
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.741
1og6 NAPOxidoreductase YdhF 1 0.728
3ln3 NADAldo-keto reductase family 1 member C13 / 0.722
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.719
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.719
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.716
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.715
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.680
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.673
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.670
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.666
1lqa NDPProtein tas / 0.664
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.658
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.653
1pz0 NAPProtein IolS 1.1.1 0.652
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.652