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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
4h8n NDP NADPH-dependent conjugated polyketone reductase C2

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 1.502
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 1.129
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.806
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.802
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.788
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.781
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.778
1s1p NAPAldo-keto reductase family 1 member C3 / 0.762
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.754
1lqa NDPProtein tas / 0.751
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.746
3wcz NAPAldo-keto reductase AKR2E4 / 0.726
3v36 NAPAldose reductase 1.1.1.21 0.724
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.720
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.719
3h7r NAPAldo-keto reductase family 4 member C8 / 0.716
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 0.715
4jtq NAPAldo-keto reductase family 1 member C2 / 0.715
4l1x NAPAldo-keto reductase family 1 member C2 / 0.712
1s1r NAPAldo-keto reductase family 1 member C3 / 0.710
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.710
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.707
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.706
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.702
2r9r NAPVoltage-gated potassium channel subunit beta-2 / 0.702
3q67 NAPAldose reductase 1.1.1.21 0.702
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.702
2hdj NDPAldo-keto reductase family 1 member C2 / 0.699
1pz1 NAPGeneral stress protein 69 / 0.697
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.696
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.695
2bgs NDPAldose reductase 1.1.1.21 0.695
3q65 NAPAldose reductase 1.1.1.21 0.695
1x98 NAPAldose reductase 1.1.1.21 0.694
2pf8 NDPAldose reductase 1.1.1.21 0.694
2pev NDPAldose reductase 1.1.1.21 0.693
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.691
2iq0 NAPAldose reductase 1.1.1.21 0.690
1z8a NAPAldose reductase 1.1.1.21 0.689
1ads NAPAldose reductase 1.1.1.21 0.688
2j8t NAPAldose reductase 1.1.1.21 0.688
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.686
5c7h NDPPutative oxidoreductase / 0.683
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.682
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.679
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.679
2acq NAPAldose reductase 1.1.1.21 0.679
2acu NAPAldose reductase 1.1.1.21 0.678
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.678
2pfh NDPAldose reductase 1.1.1.21 0.677
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.675
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.675
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.673
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.670
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.669
1ipe NDPTropinone reductase 2 1.1.1.236 0.667
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.667
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.664
2acs NAPAldose reductase 1.1.1.21 0.656
4yb7 ATPATP phosphoribosyltransferase / 0.656
1ef3 NAPAldose reductase 1.1.1.21 0.654
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.654
3ln3 NADAldo-keto reductase family 1 member C13 / 0.652
4jtc NAPVoltage-gated potassium channel subunit beta-2 / 0.652