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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
2acu NAP Aldose reductase 1.1.1.21

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2acu NAPAldose reductase 1.1.1.21 1.551
2acs NAPAldose reductase 1.1.1.21 1.495
1ads NAPAldose reductase 1.1.1.21 1.492
2iq0 NAPAldose reductase 1.1.1.21 1.490
2acq NAPAldose reductase 1.1.1.21 1.489
1x96 NAPAldose reductase 1.1.1.21 1.459
3v36 NAPAldose reductase 1.1.1.21 1.458
1x98 NAPAldose reductase 1.1.1.21 1.456
1z8a NAPAldose reductase 1.1.1.21 1.456
2pev NDPAldose reductase 1.1.1.21 1.441
2pf8 NDPAldose reductase 1.1.1.21 1.441
2j8t NAPAldose reductase 1.1.1.21 1.440
3q67 NAPAldose reductase 1.1.1.21 1.436
2pfh NDPAldose reductase 1.1.1.21 1.332
3q65 NAPAldose reductase 1.1.1.21 1.300
1ah4 NAPAldose reductase 1.1.1.21 1.253
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.236
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.216
4pmj NAPPutative oxidoreductase / 1.196
1az2 NAPAldose reductase 1.1.1.21 1.177
2bgs NDPAldose reductase 1.1.1.21 1.169
3qkz NAPAldose reductase-related protein 1 1.1.1.21 1.153
1ef3 NAPAldose reductase 1.1.1.21 1.146
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.140
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.129
5c7h NDPPutative oxidoreductase / 1.127
2vdg NDPAldose reductase 1.1.1.21 1.074
1vp5 NAPOxidoreductase, aldo/keto reductase family / 1.061
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 1.048
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.044
3h7r NAPAldo-keto reductase family 4 member C8 / 1.042
3wcz NAPAldo-keto reductase AKR2E4 / 1.041
4jtq NAPAldo-keto reductase family 1 member C2 / 1.027
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 1.012
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.008
4g5d NDPProstaglandin F synthase 1.1.1.188 1.007
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.999
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.992
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.991
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.986
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.977
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.973
1s1r NAPAldo-keto reductase family 1 member C3 / 0.967
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.966
4l1x NAPAldo-keto reductase family 1 member C2 / 0.960
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.952
1s1p NAPAldo-keto reductase family 1 member C3 / 0.952
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.939
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.936
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.893
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.887
2hdj NDPAldo-keto reductase family 1 member C2 / 0.859
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.830
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.809
1c9w NAPAldose reductase-related protein 2 / 0.808
3ln3 NADAldo-keto reductase family 1 member C13 / 0.804
1zgd NAPChalcone reductase / 0.798
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.796
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.788
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.781
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.771
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.748
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.746
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.733
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.729
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.729
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.716
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.712
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.703
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.689
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.678
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.672
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.658
1og6 NAPOxidoreductase YdhF 1 0.653
3lut NAPVoltage-gated potassium channel subunit beta-2 / 0.652