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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
2clp NDP Aflatoxin B1 aldehyde reductase member 3

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 1.440
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 1.155
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 1.149
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.960
1lqa NDPProtein tas / 0.874
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.852
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.829
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.822
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.818
4jtq NAPAldo-keto reductase family 1 member C2 / 0.808
3lut NAPVoltage-gated potassium channel subunit beta-2 / 0.805
2hdj NDPAldo-keto reductase family 1 member C2 / 0.793
1s1r NAPAldo-keto reductase family 1 member C3 / 0.783
4l1x NAPAldo-keto reductase family 1 member C2 / 0.777
1x98 NAPAldose reductase 1.1.1.21 0.773
1ads NAPAldose reductase 1.1.1.21 0.772
2r9r NAPVoltage-gated potassium channel subunit beta-2 / 0.769
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.766
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.763
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.762
2pev NDPAldose reductase 1.1.1.21 0.758
3wcz NAPAldo-keto reductase AKR2E4 / 0.750
1pz1 NAPGeneral stress protein 69 / 0.749
2acq NAPAldose reductase 1.1.1.21 0.746
2vdg NDPAldose reductase 1.1.1.21 0.743
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.739
3h7r NAPAldo-keto reductase family 4 member C8 / 0.739
4g5d NDPProstaglandin F synthase 1.1.1.188 0.739
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.737
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 0.731
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.730
2acu NAPAldose reductase 1.1.1.21 0.729
3ln3 NADAldo-keto reductase family 1 member C13 / 0.728
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.726
2pfh NDPAldose reductase 1.1.1.21 0.723
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.721
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.719
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.711
2iq0 NAPAldose reductase 1.1.1.21 0.709
1ef3 NAPAldose reductase 1.1.1.21 0.707
2j8t NAPAldose reductase 1.1.1.21 0.706
4pmj NAPPutative oxidoreductase / 0.701
5c7h NDPPutative oxidoreductase / 0.700
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.699
1x96 NAPAldose reductase 1.1.1.21 0.698
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.698
3q67 NAPAldose reductase 1.1.1.21 0.697
1az2 NAPAldose reductase 1.1.1.21 0.694
2acs NAPAldose reductase 1.1.1.21 0.694
1s1p NAPAldo-keto reductase family 1 member C3 / 0.693
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.690
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.686
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.686
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.685
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.685
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.683
1og6 NAPOxidoreductase YdhF 1 0.682
1z8a NAPAldose reductase 1.1.1.21 0.681
4jtc NAPVoltage-gated potassium channel subunit beta-2 / 0.678
2pf8 NDPAldose reductase 1.1.1.21 0.676
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.676
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.674
3q65 NAPAldose reductase 1.1.1.21 0.674
3v36 NAPAldose reductase 1.1.1.21 0.673
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.670
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.667
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.664
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.662
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.660
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.656
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.655