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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
3q67 NAP Aldose reductase 1.1.1.21

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3q67 NAPAldose reductase 1.1.1.21 1.629
2pev NDPAldose reductase 1.1.1.21 1.569
2pf8 NDPAldose reductase 1.1.1.21 1.565
2j8t NAPAldose reductase 1.1.1.21 1.555
1x98 NAPAldose reductase 1.1.1.21 1.550
1z8a NAPAldose reductase 1.1.1.21 1.532
3v36 NAPAldose reductase 1.1.1.21 1.498
1x96 NAPAldose reductase 1.1.1.21 1.489
2iq0 NAPAldose reductase 1.1.1.21 1.488
2acq NAPAldose reductase 1.1.1.21 1.482
1ads NAPAldose reductase 1.1.1.21 1.479
2acs NAPAldose reductase 1.1.1.21 1.456
2acu NAPAldose reductase 1.1.1.21 1.436
2pfh NDPAldose reductase 1.1.1.21 1.398
1ah4 NAPAldose reductase 1.1.1.21 1.371
3q65 NAPAldose reductase 1.1.1.21 1.342
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.326
1ef3 NAPAldose reductase 1.1.1.21 1.285
3qkz NAPAldose reductase-related protein 1 1.1.1.21 1.280
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.262
2bgs NDPAldose reductase 1.1.1.21 1.208
4g5d NDPProstaglandin F synthase 1.1.1.188 1.206
5c7h NDPPutative oxidoreductase / 1.205
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.170
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.154
1az2 NAPAldose reductase 1.1.1.21 1.150
2vdg NDPAldose reductase 1.1.1.21 1.146
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.123
3h7r NAPAldo-keto reductase family 4 member C8 / 1.117
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 1.089
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 1.079
4pmj NAPPutative oxidoreductase / 1.075
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.070
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.044
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.027
4jtq NAPAldo-keto reductase family 1 member C2 / 1.016
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 1.003
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.979
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.973
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.970
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.953
4l1x NAPAldo-keto reductase family 1 member C2 / 0.949
1zgd NAPChalcone reductase / 0.945
1c9w NAPAldose reductase-related protein 2 / 0.934
1s1r NAPAldo-keto reductase family 1 member C3 / 0.929
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.923
3wcz NAPAldo-keto reductase AKR2E4 / 0.922
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.908
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.901
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.894
2hdj NDPAldo-keto reductase family 1 member C2 / 0.884
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.875
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.873
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.861
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.847
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.842
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.803
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.799
1s1p NAPAldo-keto reductase family 1 member C3 / 0.785
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.767
3ln3 NADAldo-keto reductase family 1 member C13 / 0.764
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.746
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.711
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.710
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.706
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.702
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.697
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.693
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.693
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.690
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.681
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.680
1lqa NDPProtein tas / 0.674
1og6 NAPOxidoreductase YdhF 1 0.669
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.662
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.659
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.657
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.653