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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
1a80 NDP 2,5-diketo-D-gluconic acid reductase A 1.1.1.346

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 1.438
5c7h NDPPutative oxidoreductase / 1.058
3h7r NAPAldo-keto reductase family 4 member C8 / 1.055
2iq0 NAPAldose reductase 1.1.1.21 1.038
1x96 NAPAldose reductase 1.1.1.21 1.012
1x98 NAPAldose reductase 1.1.1.21 1.004
2bgs NDPAldose reductase 1.1.1.21 0.994
2pev NDPAldose reductase 1.1.1.21 0.978
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.977
4g5d NDPProstaglandin F synthase 1.1.1.188 0.975
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.972
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 0.970
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.967
1ads NAPAldose reductase 1.1.1.21 0.966
2acq NAPAldose reductase 1.1.1.21 0.962
4pmj NAPPutative oxidoreductase / 0.958
3v36 NAPAldose reductase 1.1.1.21 0.956
2acs NAPAldose reductase 1.1.1.21 0.953
2pfh NDPAldose reductase 1.1.1.21 0.952
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.948
2pf8 NDPAldose reductase 1.1.1.21 0.942
2acu NAPAldose reductase 1.1.1.21 0.939
1z8a NAPAldose reductase 1.1.1.21 0.938
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.937
2j8t NAPAldose reductase 1.1.1.21 0.937
3q65 NAPAldose reductase 1.1.1.21 0.928
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.927
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.927
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.923
1ah4 NAPAldose reductase 1.1.1.21 0.919
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.905
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.905
3q67 NAPAldose reductase 1.1.1.21 0.901
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.888
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.884
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.878
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.874
2vdg NDPAldose reductase 1.1.1.21 0.872
2hdj NDPAldo-keto reductase family 1 member C2 / 0.854
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.851
1ef3 NAPAldose reductase 1.1.1.21 0.849
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.843
1az2 NAPAldose reductase 1.1.1.21 0.830
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.830
4l1x NAPAldo-keto reductase family 1 member C2 / 0.828
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.819
1s1p NAPAldo-keto reductase family 1 member C3 / 0.803
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.799
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.793
4jtq NAPAldo-keto reductase family 1 member C2 / 0.782
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.780
3wcz NAPAldo-keto reductase AKR2E4 / 0.780
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.772
1s1r NAPAldo-keto reductase family 1 member C3 / 0.769
1zgd NAPChalcone reductase / 0.757
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.753
3lut NAPVoltage-gated potassium channel subunit beta-2 / 0.744
1c9w NAPAldose reductase-related protein 2 / 0.740
3ln3 NADAldo-keto reductase family 1 member C13 / 0.738
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.728
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.724
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.711
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.703
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.699
1lqa NDPProtein tas / 0.695
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.691
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.678
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.678
3lnm NAPVoltage-gated potassium channel subunit beta-2 / 0.678
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.670
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.661
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.655
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.652