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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
1x96 NAP Aldose reductase 1.1.1.21

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1x96 NAPAldose reductase 1.1.1.21 1.605
1x98 NAPAldose reductase 1.1.1.21 1.582
2acq NAPAldose reductase 1.1.1.21 1.563
2iq0 NAPAldose reductase 1.1.1.21 1.563
1ads NAPAldose reductase 1.1.1.21 1.550
1z8a NAPAldose reductase 1.1.1.21 1.530
2pev NDPAldose reductase 1.1.1.21 1.529
2j8t NAPAldose reductase 1.1.1.21 1.528
2pf8 NDPAldose reductase 1.1.1.21 1.528
3v36 NAPAldose reductase 1.1.1.21 1.517
2acs NAPAldose reductase 1.1.1.21 1.512
3q67 NAPAldose reductase 1.1.1.21 1.489
2acu NAPAldose reductase 1.1.1.21 1.459
3q65 NAPAldose reductase 1.1.1.21 1.432
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.330
2pfh NDPAldose reductase 1.1.1.21 1.320
1ah4 NAPAldose reductase 1.1.1.21 1.289
2bgs NDPAldose reductase 1.1.1.21 1.238
3qkz NAPAldose reductase-related protein 1 1.1.1.21 1.191
5c7h NDPPutative oxidoreductase / 1.190
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.170
4pmj NAPPutative oxidoreductase / 1.169
3h7r NAPAldo-keto reductase family 4 member C8 / 1.163
1ef3 NAPAldose reductase 1.1.1.21 1.156
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.153
4g5d NDPProstaglandin F synthase 1.1.1.188 1.147
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 1.141
2vdg NDPAldose reductase 1.1.1.21 1.110
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 1.104
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.069
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.061
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 1.012
1az2 NAPAldose reductase 1.1.1.21 1.011
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.990
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.990
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.990
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.988
1s1r NAPAldo-keto reductase family 1 member C3 / 0.976
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.971
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.969
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.962
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.958
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.955
3wcz NAPAldo-keto reductase AKR2E4 / 0.953
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.951
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.913
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.909
4jtq NAPAldo-keto reductase family 1 member C2 / 0.904
1c9w NAPAldose reductase-related protein 2 / 0.898
1s1p NAPAldo-keto reductase family 1 member C3 / 0.891
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.873
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.861
2hdj NDPAldo-keto reductase family 1 member C2 / 0.857
4l1x NAPAldo-keto reductase family 1 member C2 / 0.856
1zgd NAPChalcone reductase / 0.848
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.818
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.816
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.814
3ln3 NADAldo-keto reductase family 1 member C13 / 0.797
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.793
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.783
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.777
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.774
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.773
1og6 NAPOxidoreductase YdhF 1 0.725
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.720
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.717
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.699
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.698
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.695