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

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.437
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.409
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.400
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.391
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.388
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.303
5c7h NDPPutative oxidoreductase / 1.214
2bgs NDPAldose reductase 1.1.1.21 1.201
4jtq NAPAldo-keto reductase family 1 member C2 / 1.177
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 1.167
3q67 NAPAldose reductase 1.1.1.21 1.154
4pmj NAPPutative oxidoreductase / 1.135
2pev NDPAldose reductase 1.1.1.21 1.127
2pf8 NDPAldose reductase 1.1.1.21 1.127
1x98 NAPAldose reductase 1.1.1.21 1.115
4l1x NAPAldo-keto reductase family 1 member C2 / 1.115
1z8a NAPAldose reductase 1.1.1.21 1.113
2j8t NAPAldose reductase 1.1.1.21 1.113
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.100
1s1p NAPAldo-keto reductase family 1 member C3 / 1.097
4dz5 NAPAldo-keto reductase family 1 member C3 / 1.097
1s1r NAPAldo-keto reductase family 1 member C3 / 1.082
4xo7 NAPAldo-keto reductase family 1 member C2 / 1.072
1x96 NAPAldose reductase 1.1.1.21 1.069
2iq0 NAPAldose reductase 1.1.1.21 1.069
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.069
4jq3 NAPAldo-keto reductase family 1 member C2 / 1.069
3h7r NAPAldo-keto reductase family 4 member C8 / 1.065
1ah4 NAPAldose reductase 1.1.1.21 1.060
1vp5 NAPOxidoreductase, aldo/keto reductase family / 1.060
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 1.052
1ads NAPAldose reductase 1.1.1.21 1.049
3v36 NAPAldose reductase 1.1.1.21 1.044
2acs NAPAldose reductase 1.1.1.21 1.041
2acq NAPAldose reductase 1.1.1.21 1.022
4g5d NDPProstaglandin F synthase 1.1.1.188 1.018
3qkz NAPAldose reductase-related protein 1 1.1.1.21 1.008
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.007
3q65 NAPAldose reductase 1.1.1.21 1.004
2acu NAPAldose reductase 1.1.1.21 0.991
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.977
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.975
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.963
1ef3 NAPAldose reductase 1.1.1.21 0.954
2vdg NDPAldose reductase 1.1.1.21 0.935
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.931
3wcz NAPAldo-keto reductase AKR2E4 / 0.925
1zgd NAPChalcone reductase / 0.901
1az2 NAPAldose reductase 1.1.1.21 0.898
2pfh NDPAldose reductase 1.1.1.21 0.897
2hdj NDPAldo-keto reductase family 1 member C2 / 0.876
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.864
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.858
1c9w NAPAldose reductase-related protein 2 / 0.821
1r38 NAPNAD(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 0.795
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.779
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.771
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.757
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.755
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.750
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.738
3ln3 NADAldo-keto reductase family 1 member C13 / 0.720
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.710
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.707
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.686
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.678
3v0t ATRPerakine reductase 1.1.1.317 0.672
1lqa NDPProtein tas / 0.662
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.660
1og6 NAPOxidoreductase YdhF 1 0.659