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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
3bv7 NAP 3-oxo-5-beta-steroid 4-dehydrogenase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.444
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.409
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.400
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.347
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.301
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.260
4jtq NAPAldo-keto reductase family 1 member C2 / 1.257
2bgs NDPAldose reductase 1.1.1.21 1.239
2j8t NAPAldose reductase 1.1.1.21 1.220
4pmj NAPPutative oxidoreductase / 1.198
5c7h NDPPutative oxidoreductase / 1.198
1z8a NAPAldose reductase 1.1.1.21 1.192
4l1x NAPAldo-keto reductase family 1 member C2 / 1.177
3q67 NAPAldose reductase 1.1.1.21 1.170
1x98 NAPAldose reductase 1.1.1.21 1.168
2pf8 NDPAldose reductase 1.1.1.21 1.142
2acs NAPAldose reductase 1.1.1.21 1.137
2acu NAPAldose reductase 1.1.1.21 1.129
2acq NAPAldose reductase 1.1.1.21 1.128
2pev NDPAldose reductase 1.1.1.21 1.128
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.122
2iq0 NAPAldose reductase 1.1.1.21 1.118
4dz5 NAPAldo-keto reductase family 1 member C3 / 1.113
4xo7 NAPAldo-keto reductase family 1 member C2 / 1.107
3h7r NAPAldo-keto reductase family 4 member C8 / 1.106
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.099
4jq3 NAPAldo-keto reductase family 1 member C2 / 1.088
1ads NAPAldose reductase 1.1.1.21 1.076
1s1p NAPAldo-keto reductase family 1 member C3 / 1.067
1s1r NAPAldo-keto reductase family 1 member C3 / 1.067
1ah4 NAPAldose reductase 1.1.1.21 1.065
1x96 NAPAldose reductase 1.1.1.21 1.061
3v36 NAPAldose reductase 1.1.1.21 1.060
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 1.054
2pfh NDPAldose reductase 1.1.1.21 1.048
1vp5 NAPOxidoreductase, aldo/keto reductase family / 1.044
1ef3 NAPAldose reductase 1.1.1.21 1.025
3q65 NAPAldose reductase 1.1.1.21 1.003
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.992
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.989
2vdg NDPAldose reductase 1.1.1.21 0.984
4g5d NDPProstaglandin F synthase 1.1.1.188 0.975
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.975
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.972
2hdj NDPAldo-keto reductase family 1 member C2 / 0.952
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.942
1zgd NAPChalcone reductase / 0.937
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.927
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.926
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.925
3wcz NAPAldo-keto reductase AKR2E4 / 0.919
1az2 NAPAldose reductase 1.1.1.21 0.894
1c9w NAPAldose reductase-related protein 2 / 0.889
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.877
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.834
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.814
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.807
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.794
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.791
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.785
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.757
3ln3 NADAldo-keto reductase family 1 member C13 / 0.736
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.729
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.719
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.713
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.711
1og6 NAPOxidoreductase YdhF 1 0.696
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.695
2wzm NA7Uncharacterized oxidoreductase MSMEG_2407/MSMEI_2346 / 0.693
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.689
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.682
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.668
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.666
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.664
1lqa NDPProtein tas / 0.655
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.652
2jiz ANPATP synthase subunit beta, mitochondrial 3.6.3.14 0.651