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

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.440
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.409
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.409
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.397
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.310
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.302
2bgs NDPAldose reductase 1.1.1.21 1.243
4l1x NAPAldo-keto reductase family 1 member C2 / 1.188
4jtq NAPAldo-keto reductase family 1 member C2 / 1.177
4xo7 NAPAldo-keto reductase family 1 member C2 / 1.171
4pmj NAPPutative oxidoreductase / 1.169
5c7h NDPPutative oxidoreductase / 1.155
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 1.102
3o3r NAPAldose reductase-related protein 1 1.1.1.21 1.087
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.081
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.075
4jq3 NAPAldo-keto reductase family 1 member C2 / 1.069
1s1p NAPAldo-keto reductase family 1 member C3 / 1.052
2pf8 NDPAldose reductase 1.1.1.21 1.049
4dz5 NAPAldo-keto reductase family 1 member C3 / 1.043
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 1.034
1vp5 NAPOxidoreductase, aldo/keto reductase family / 1.034
3q67 NAPAldose reductase 1.1.1.21 1.027
1s1r NAPAldo-keto reductase family 1 member C3 / 1.026
3q65 NAPAldose reductase 1.1.1.21 1.026
1z8a NAPAldose reductase 1.1.1.21 1.023
2acu NAPAldose reductase 1.1.1.21 1.008
1ads NAPAldose reductase 1.1.1.21 1.006
4g5d NDPProstaglandin F synthase 1.1.1.188 1.006
2acs NAPAldose reductase 1.1.1.21 1.002
2hdj NDPAldo-keto reductase family 1 member C2 / 0.998
2iq0 NAPAldose reductase 1.1.1.21 0.997
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.983
2acq NAPAldose reductase 1.1.1.21 0.980
1x96 NAPAldose reductase 1.1.1.21 0.969
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.956
3h7r NAPAldo-keto reductase family 4 member C8 / 0.956
2pev NDPAldose reductase 1.1.1.21 0.954
1ef3 NAPAldose reductase 1.1.1.21 0.949
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.948
1x98 NAPAldose reductase 1.1.1.21 0.946
2j8t NAPAldose reductase 1.1.1.21 0.946
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.938
1zgd NAPChalcone reductase / 0.920
1az2 NAPAldose reductase 1.1.1.21 0.914
3v36 NAPAldose reductase 1.1.1.21 0.900
2vdg NDPAldose reductase 1.1.1.21 0.897
2pfh NDPAldose reductase 1.1.1.21 0.892
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.888
1ah4 NAPAldose reductase 1.1.1.21 0.871
3wcz NAPAldo-keto reductase AKR2E4 / 0.853
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.851
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.833
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.819
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.817
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.790
1c9w NAPAldose reductase-related protein 2 / 0.785
3ln3 NADAldo-keto reductase family 1 member C13 / 0.778
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.776
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.766
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.743
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.729
2wzm NA7Uncharacterized oxidoreductase MSMEG_2407/MSMEI_2346 / 0.725
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.703
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.702
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.699
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.695
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.694
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.688
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.678
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.678
4y1b NAPAntE / 0.675
4lfg IPEPutative geranyltranstransferase / 0.663
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.654
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.652
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.650