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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
2hej NDP Aldo-keto reductase family 1 member C21 1.1.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 1.487
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 1.327
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.844
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.836
3h7r NAPAldo-keto reductase family 4 member C8 / 0.835
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.830
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.822
3ln3 NADAldo-keto reductase family 1 member C13 / 0.816
1ef3 NAPAldose reductase 1.1.1.21 0.809
1lqa NDPProtein tas / 0.805
2hdj NDPAldo-keto reductase family 1 member C2 / 0.801
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.800
1s1r NAPAldo-keto reductase family 1 member C3 / 0.794
4jtq NAPAldo-keto reductase family 1 member C2 / 0.791
1s1p NAPAldo-keto reductase family 1 member C3 / 0.789
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.785
4l1x NAPAldo-keto reductase family 1 member C2 / 0.785
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.781
2iq0 NAPAldose reductase 1.1.1.21 0.778
1x96 NAPAldose reductase 1.1.1.21 0.773
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.773
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.772
1z8a NAPAldose reductase 1.1.1.21 0.772
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.768
2vdg NDPAldose reductase 1.1.1.21 0.762
1ads NAPAldose reductase 1.1.1.21 0.758
2pev NDPAldose reductase 1.1.1.21 0.754
2pf8 NDPAldose reductase 1.1.1.21 0.754
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.751
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.751
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.749
3wcz NAPAldo-keto reductase AKR2E4 / 0.747
2acq NAPAldose reductase 1.1.1.21 0.746
2j8t NAPAldose reductase 1.1.1.21 0.745
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 0.745
3lut NAPVoltage-gated potassium channel subunit beta-2 / 0.744
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.743
2pfh NDPAldose reductase 1.1.1.21 0.742
1x98 NAPAldose reductase 1.1.1.21 0.738
2acu NAPAldose reductase 1.1.1.21 0.729
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.723
2r9r NAPVoltage-gated potassium channel subunit beta-2 / 0.718
3q65 NAPAldose reductase 1.1.1.21 0.716
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.711
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.710
2bgs NDPAldose reductase 1.1.1.21 0.703
1pz1 NAPGeneral stress protein 69 / 0.698
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.698
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.697
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.697
4g5d NDPProstaglandin F synthase 1.1.1.188 0.697
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.696
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.694
1qrq NDPVoltage-gated potassium channel subunit beta-2 / 0.691
3q67 NAPAldose reductase 1.1.1.21 0.690
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.689
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.688
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.688
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.687
4pmj NAPPutative oxidoreductase / 0.686
1pz0 NAPProtein IolS 1.1.1 0.685
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.678
4jtc NAPVoltage-gated potassium channel subunit beta-2 / 0.677
1ah4 NAPAldose reductase 1.1.1.21 0.676
5c7h NDPPutative oxidoreductase / 0.671
3v36 NAPAldose reductase 1.1.1.21 0.669
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.667
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.665
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.658
2acs NAPAldose reductase 1.1.1.21 0.657
1og6 NAPOxidoreductase YdhF 1 0.654
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.654
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.653
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.653
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.653