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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
1x98 NAP Aldose reductase 1.1.1.21

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1x98 NAPAldose reductase 1.1.1.21 1.646
2pev NDPAldose reductase 1.1.1.21 1.591
2pf8 NDPAldose reductase 1.1.1.21 1.587
1x96 NAPAldose reductase 1.1.1.21 1.582
2acq NAPAldose reductase 1.1.1.21 1.564
2iq0 NAPAldose reductase 1.1.1.21 1.560
2j8t NAPAldose reductase 1.1.1.21 1.556
1z8a NAPAldose reductase 1.1.1.21 1.554
3q67 NAPAldose reductase 1.1.1.21 1.550
1ads NAPAldose reductase 1.1.1.21 1.535
2acs NAPAldose reductase 1.1.1.21 1.494
3v36 NAPAldose reductase 1.1.1.21 1.488
2acu NAPAldose reductase 1.1.1.21 1.456
2pfh NDPAldose reductase 1.1.1.21 1.403
3q65 NAPAldose reductase 1.1.1.21 1.399
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.353
1ah4 NAPAldose reductase 1.1.1.21 1.348
1ef3 NAPAldose reductase 1.1.1.21 1.282
2bgs NDPAldose reductase 1.1.1.21 1.278
3qkz NAPAldose reductase-related protein 1 1.1.1.21 1.242
5c7h NDPPutative oxidoreductase / 1.223
3h7r NAPAldo-keto reductase family 4 member C8 / 1.191
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.179
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.168
4g5d NDPProstaglandin F synthase 1.1.1.188 1.155
1az2 NAPAldose reductase 1.1.1.21 1.132
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.115
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 1.104
2vdg NDPAldose reductase 1.1.1.21 1.083
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.067
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 1.051
3wcz NAPAldo-keto reductase AKR2E4 / 1.048
4pmj NAPPutative oxidoreductase / 1.045
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.031
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 1.028
4xo7 NAPAldo-keto reductase family 1 member C2 / 1.014
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.006
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 1.004
1vp5 NAPOxidoreductase, aldo/keto reductase family / 1.004
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.981
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.970
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.961
4l1x NAPAldo-keto reductase family 1 member C2 / 0.960
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.946
1s1p NAPAldo-keto reductase family 1 member C3 / 0.944
1s1r NAPAldo-keto reductase family 1 member C3 / 0.942
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.927
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.916
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.912
4jtq NAPAldo-keto reductase family 1 member C2 / 0.903
1c9w NAPAldose reductase-related protein 2 / 0.895
1zgd NAPChalcone reductase / 0.893
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.880
2hdj NDPAldo-keto reductase family 1 member C2 / 0.869
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.860
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.859
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.827
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.797
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.792
3ln3 NADAldo-keto reductase family 1 member C13 / 0.790
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.784
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.773
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.772
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.763
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.738
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.721
1og6 NAPOxidoreductase YdhF 1 0.720
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.709
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.699
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.694
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.691
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.668
3bm1 FMNPutative NAD(P)H nitroreductase YdjA / 0.658
4y7c NAPNADPH--cytochrome P450 reductase / 0.654