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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
1lwi NAP 3-alpha-hydroxysteroid dehydrogenase 1.1.1.50

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 1.093
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.844
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.802
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.789
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.781
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.764
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.761
4jtq NAPAldo-keto reductase family 1 member C2 / 0.760
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.754
4l1x NAPAldo-keto reductase family 1 member C2 / 0.754
3q65 NAPAldose reductase 1.1.1.21 0.740
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.739
1s1r NAPAldo-keto reductase family 1 member C3 / 0.738
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.738
2iq0 NAPAldose reductase 1.1.1.21 0.737
2acq NAPAldose reductase 1.1.1.21 0.733
2acu NAPAldose reductase 1.1.1.21 0.733
2j8t NAPAldose reductase 1.1.1.21 0.727
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.726
1lqa NDPProtein tas / 0.724
1z8a NAPAldose reductase 1.1.1.21 0.723
1ads NAPAldose reductase 1.1.1.21 0.722
1x98 NAPAldose reductase 1.1.1.21 0.721
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.721
1x96 NAPAldose reductase 1.1.1.21 0.717
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.717
1ef3 NAPAldose reductase 1.1.1.21 0.715
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.715
3q67 NAPAldose reductase 1.1.1.21 0.706
1c9w NAPAldose reductase-related protein 2 / 0.705
1s1p NAPAldo-keto reductase family 1 member C3 / 0.705
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.702
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.702
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.700
2acs NAPAldose reductase 1.1.1.21 0.697
2pf8 NDPAldose reductase 1.1.1.21 0.697
2pev NDPAldose reductase 1.1.1.21 0.696
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.694
3v36 NAPAldose reductase 1.1.1.21 0.694
2hdj NDPAldo-keto reductase family 1 member C2 / 0.693
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 0.693
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.693
1ah4 NAPAldose reductase 1.1.1.21 0.692
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.692
2pfh NDPAldose reductase 1.1.1.21 0.691
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.683
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.682
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.677
2r9r NAPVoltage-gated potassium channel subunit beta-2 / 0.676
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.676
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.675
3lut NAPVoltage-gated potassium channel subunit beta-2 / 0.673
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.670
4jtc NAPVoltage-gated potassium channel subunit beta-2 / 0.670
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.668
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.668
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.661
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.660
4g5d NDPProstaglandin F synthase 1.1.1.188 0.660
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.656
1og6 NAPOxidoreductase YdhF 1 0.654
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.654
2bgs NDPAldose reductase 1.1.1.21 0.654
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.653
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.650
3ln3 NADAldo-keto reductase family 1 member C13 / 0.650