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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
2acq NAP Aldose reductase 1.1.1.21

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2acq NAPAldose reductase 1.1.1.21 1.629
2iq0 NAPAldose reductase 1.1.1.21 1.591
1x98 NAPAldose reductase 1.1.1.21 1.564
1x96 NAPAldose reductase 1.1.1.21 1.563
1ads NAPAldose reductase 1.1.1.21 1.556
2acs NAPAldose reductase 1.1.1.21 1.513
1z8a NAPAldose reductase 1.1.1.21 1.511
2pev NDPAldose reductase 1.1.1.21 1.511
2pf8 NDPAldose reductase 1.1.1.21 1.511
2j8t NAPAldose reductase 1.1.1.21 1.506
3v36 NAPAldose reductase 1.1.1.21 1.500
2acu NAPAldose reductase 1.1.1.21 1.489
3q67 NAPAldose reductase 1.1.1.21 1.482
1ah4 NAPAldose reductase 1.1.1.21 1.436
3q65 NAPAldose reductase 1.1.1.21 1.338
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.294
2pfh NDPAldose reductase 1.1.1.21 1.271
1ef3 NAPAldose reductase 1.1.1.21 1.257
2bgs NDPAldose reductase 1.1.1.21 1.227
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.204
3qkz NAPAldose reductase-related protein 1 1.1.1.21 1.198
5c7h NDPPutative oxidoreductase / 1.177
1az2 NAPAldose reductase 1.1.1.21 1.137
4g5d NDPProstaglandin F synthase 1.1.1.188 1.131
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.128
3h7r NAPAldo-keto reductase family 4 member C8 / 1.114
2vdg NDPAldose reductase 1.1.1.21 1.102
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 1.082
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 1.070
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 1.036
4pmj NAPPutative oxidoreductase / 1.032
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.022
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 1.010
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.008
3wcz NAPAldo-keto reductase AKR2E4 / 1.002
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.000
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.999
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.992
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.982
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.980
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.962
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.959
4l1x NAPAldo-keto reductase family 1 member C2 / 0.947
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.942
1s1p NAPAldo-keto reductase family 1 member C3 / 0.910
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.892
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.881
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.875
1s1r NAPAldo-keto reductase family 1 member C3 / 0.872
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.871
1zgd NAPChalcone reductase / 0.866
4jtq NAPAldo-keto reductase family 1 member C2 / 0.854
1c9w NAPAldose reductase-related protein 2 / 0.848
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.839
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.823
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.821
2hdj NDPAldo-keto reductase family 1 member C2 / 0.818
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.817
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.800
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.799
3ln3 NADAldo-keto reductase family 1 member C13 / 0.795
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.779
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.753
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.746
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.746
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.739
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.733
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.725
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.714
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.695
1lqa NDPProtein tas / 0.681
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.680
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.679
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.669
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.658
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.651