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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
1ads NAP Aldose reductase 1.1.1.21

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1ads NAPAldose reductase 1.1.1.21 1.592
2iq0 NAPAldose reductase 1.1.1.21 1.566
2acq NAPAldose reductase 1.1.1.21 1.556
1x96 NAPAldose reductase 1.1.1.21 1.550
1x98 NAPAldose reductase 1.1.1.21 1.535
2acs NAPAldose reductase 1.1.1.21 1.515
2acu NAPAldose reductase 1.1.1.21 1.492
2j8t NAPAldose reductase 1.1.1.21 1.487
3v36 NAPAldose reductase 1.1.1.21 1.486
1z8a NAPAldose reductase 1.1.1.21 1.484
2pev NDPAldose reductase 1.1.1.21 1.484
2pf8 NDPAldose reductase 1.1.1.21 1.484
3q67 NAPAldose reductase 1.1.1.21 1.479
3q65 NAPAldose reductase 1.1.1.21 1.405
1ah4 NAPAldose reductase 1.1.1.21 1.339
2pfh NDPAldose reductase 1.1.1.21 1.331
1ef3 NAPAldose reductase 1.1.1.21 1.277
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.260
2bgs NDPAldose reductase 1.1.1.21 1.226
4pmj NAPPutative oxidoreductase / 1.210
3qkz NAPAldose reductase-related protein 1 1.1.1.21 1.205
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.203
5c7h NDPPutative oxidoreductase / 1.190
1az2 NAPAldose reductase 1.1.1.21 1.152
4g5d NDPProstaglandin F synthase 1.1.1.188 1.128
3h7r NAPAldo-keto reductase family 4 member C8 / 1.119
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 1.109
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 1.107
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.091
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.076
2vdg NDPAldose reductase 1.1.1.21 1.069
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.053
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.049
4jtq NAPAldo-keto reductase family 1 member C2 / 1.030
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 1.028
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.008
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.006
3wcz NAPAldo-keto reductase AKR2E4 / 0.998
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.988
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.985
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.985
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.984
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.970
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.966
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.959
1s1r NAPAldo-keto reductase family 1 member C3 / 0.954
2hdj NDPAldo-keto reductase family 1 member C2 / 0.934
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.924
1c9w NAPAldose reductase-related protein 2 / 0.899
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.891
1s1p NAPAldo-keto reductase family 1 member C3 / 0.889
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.888
1zgd NAPChalcone reductase / 0.883
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.876
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.854
4l1x NAPAldo-keto reductase family 1 member C2 / 0.849
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.830
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.804
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.784
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.782
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.772
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.763
1pz1 NAPGeneral stress protein 69 / 0.758
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.758
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.750
3ln3 NADAldo-keto reductase family 1 member C13 / 0.747
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.743
1lqa NDPProtein tas / 0.728
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.722
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.715
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.714
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.688
1og6 NAPOxidoreductase YdhF 1 0.684
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.681
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.654
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.653
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.651