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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
1r38 NAP NAD(P)H-dependent D-xylose reductase 1.1.1.307

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.506
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.418
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.168
2bgs NDPAldose reductase 1.1.1.21 1.045
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.029
3h7r NAPAldo-keto reductase family 4 member C8 / 1.009
2acq NAPAldose reductase 1.1.1.21 0.999
1ads NAPAldose reductase 1.1.1.21 0.984
3q65 NAPAldose reductase 1.1.1.21 0.984
2acs NAPAldose reductase 1.1.1.21 0.977
2j8t NAPAldose reductase 1.1.1.21 0.969
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.967
1x96 NAPAldose reductase 1.1.1.21 0.958
4g5d NDPProstaglandin F synthase 1.1.1.188 0.955
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.955
2acu NAPAldose reductase 1.1.1.21 0.952
2pf8 NDPAldose reductase 1.1.1.21 0.942
4pmj NAPPutative oxidoreductase / 0.939
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.938
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.931
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.927
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.925
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.925
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.923
3q67 NAPAldose reductase 1.1.1.21 0.923
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.919
1x98 NAPAldose reductase 1.1.1.21 0.916
2iq0 NAPAldose reductase 1.1.1.21 0.906
1z8a NAPAldose reductase 1.1.1.21 0.905
4l1x NAPAldo-keto reductase family 1 member C2 / 0.893
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.889
3v36 NAPAldose reductase 1.1.1.21 0.889
2pfh NDPAldose reductase 1.1.1.21 0.885
2vdg NDPAldose reductase 1.1.1.21 0.883
1s1p NAPAldo-keto reductase family 1 member C3 / 0.879
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.879
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.869
2pev NDPAldose reductase 1.1.1.21 0.867
1c9w NAPAldose reductase-related protein 2 / 0.866
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.863
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.860
3ln3 NADAldo-keto reductase family 1 member C13 / 0.857
1ef3 NAPAldose reductase 1.1.1.21 0.851
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.848
1ah4 NAPAldose reductase 1.1.1.21 0.845
5c7h NDPPutative oxidoreductase / 0.841
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.829
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.828
3wcz NAPAldo-keto reductase AKR2E4 / 0.822
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.819
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.817
2hdj NDPAldo-keto reductase family 1 member C2 / 0.814
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.811
1az2 NAPAldose reductase 1.1.1.21 0.806
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.801
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.795
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.775
1s1r NAPAldo-keto reductase family 1 member C3 / 0.773
1zgd NAPChalcone reductase / 0.763
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.756
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.756
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.753
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.751
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.750
4jtq NAPAldo-keto reductase family 1 member C2 / 0.723
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.719
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.713
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.707
4jtc NAPVoltage-gated potassium channel subunit beta-2 / 0.689
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.681
1pz0 NAPProtein IolS 1.1.1 0.676
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.674
1lqa NDPProtein tas / 0.672
1og6 NAPOxidoreductase YdhF 1 0.669
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.654