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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
2iq0 NAP Aldose reductase 1.1.1.21

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2iq0 NAPAldose reductase 1.1.1.21 1.628
2acq NAPAldose reductase 1.1.1.21 1.591
1ads NAPAldose reductase 1.1.1.21 1.566
1x96 NAPAldose reductase 1.1.1.21 1.563
1x98 NAPAldose reductase 1.1.1.21 1.560
3v36 NAPAldose reductase 1.1.1.21 1.533
2acs NAPAldose reductase 1.1.1.21 1.532
2pf8 NDPAldose reductase 1.1.1.21 1.511
1z8a NAPAldose reductase 1.1.1.21 1.508
2pev NDPAldose reductase 1.1.1.21 1.508
2j8t NAPAldose reductase 1.1.1.21 1.496
2acu NAPAldose reductase 1.1.1.21 1.490
3q67 NAPAldose reductase 1.1.1.21 1.488
1ah4 NAPAldose reductase 1.1.1.21 1.374
1ef3 NAPAldose reductase 1.1.1.21 1.363
3q65 NAPAldose reductase 1.1.1.21 1.336
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.298
2pfh NDPAldose reductase 1.1.1.21 1.291
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.233
1az2 NAPAldose reductase 1.1.1.21 1.220
4pmj NAPPutative oxidoreductase / 1.202
2bgs NDPAldose reductase 1.1.1.21 1.201
3qkz NAPAldose reductase-related protein 1 1.1.1.21 1.194
5c7h NDPPutative oxidoreductase / 1.194
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.166
4g5d NDPProstaglandin F synthase 1.1.1.188 1.133
3h7r NAPAldo-keto reductase family 4 member C8 / 1.131
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 1.131
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 1.125
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.118
2vdg NDPAldose reductase 1.1.1.21 1.083
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.069
1vp5 NAPOxidoreductase, aldo/keto reductase family / 1.065
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 1.058
3wcz NAPAldo-keto reductase AKR2E4 / 1.051
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 1.048
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 1.038
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 1.033
4dz5 NAPAldo-keto reductase family 1 member C3 / 1.024
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.020
4jtq NAPAldo-keto reductase family 1 member C2 / 1.015
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.014
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.997
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.985
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.980
4l1x NAPAldo-keto reductase family 1 member C2 / 0.977
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.936
1s1r NAPAldo-keto reductase family 1 member C3 / 0.918
1c9w NAPAldose reductase-related protein 2 / 0.915
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.906
2hdj NDPAldo-keto reductase family 1 member C2 / 0.903
1s1p NAPAldo-keto reductase family 1 member C3 / 0.890
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.878
1zgd NAPChalcone reductase / 0.867
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.839
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.835
3ln3 NADAldo-keto reductase family 1 member C13 / 0.807
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.797
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.793
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.779
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.778
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.766
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.737
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.727
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.719
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.711
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.709
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.708
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.704
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.690
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.690
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.676
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.674
4jtc NAPVoltage-gated potassium channel subunit beta-2 / 0.656
1lqa NDPProtein tas / 0.655