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

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.422
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.415
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.391
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.310
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.280
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.260
4jtq NAPAldo-keto reductase family 1 member C2 / 1.214
4xo7 NAPAldo-keto reductase family 1 member C2 / 1.176
4pmj NAPPutative oxidoreductase / 1.175
4l1x NAPAldo-keto reductase family 1 member C2 / 1.165
5c7h NDPPutative oxidoreductase / 1.147
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 1.142
3h7r NAPAldo-keto reductase family 4 member C8 / 1.100
2vdg NDPAldose reductase 1.1.1.21 1.096
1s1p NAPAldo-keto reductase family 1 member C3 / 1.089
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.075
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.074
4jq3 NAPAldo-keto reductase family 1 member C2 / 1.073
1s1r NAPAldo-keto reductase family 1 member C3 / 1.070
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 1.068
2bgs NDPAldose reductase 1.1.1.21 1.058
4dz5 NAPAldo-keto reductase family 1 member C3 / 1.046
1ads NAPAldose reductase 1.1.1.21 1.008
2acq NAPAldose reductase 1.1.1.21 1.000
2pev NDPAldose reductase 1.1.1.21 0.998
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.995
4g5d NDPProstaglandin F synthase 1.1.1.188 0.989
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.988
1x96 NAPAldose reductase 1.1.1.21 0.988
1ef3 NAPAldose reductase 1.1.1.21 0.986
1z8a NAPAldose reductase 1.1.1.21 0.986
2iq0 NAPAldose reductase 1.1.1.21 0.980
2acs NAPAldose reductase 1.1.1.21 0.975
3q67 NAPAldose reductase 1.1.1.21 0.973
1zgd NAPChalcone reductase / 0.967
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.965
2pf8 NDPAldose reductase 1.1.1.21 0.964
2hdj NDPAldo-keto reductase family 1 member C2 / 0.958
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.956
2j8t NAPAldose reductase 1.1.1.21 0.948
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.948
3q65 NAPAldose reductase 1.1.1.21 0.937
3v36 NAPAldose reductase 1.1.1.21 0.934
1az2 NAPAldose reductase 1.1.1.21 0.926
1x98 NAPAldose reductase 1.1.1.21 0.912
1ah4 NAPAldose reductase 1.1.1.21 0.908
3wcz NAPAldo-keto reductase AKR2E4 / 0.896
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.888
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.874
2pfh NDPAldose reductase 1.1.1.21 0.859
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.854
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.834
1c9w NAPAldose reductase-related protein 2 / 0.799
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.793
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.784
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.763
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.758
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.751
3ln3 NADAldo-keto reductase family 1 member C13 / 0.751
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.748
2acu NAPAldose reductase 1.1.1.21 0.748
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.746
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.733
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.699
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.697
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.685
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.681
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.675
1og6 NAPOxidoreductase YdhF 1 0.674
4lfg IPEPutative geranyltranstransferase / 0.663
1lqa NDPProtein tas / 0.662
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.662
2wzm NA7Uncharacterized oxidoreductase MSMEG_2407/MSMEI_2346 / 0.657
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.657