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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
4dz5 NAP Aldo-keto reductase family 1 member C3

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4dz5 NAPAldo-keto reductase family 1 member C3 / 1.512
1s1p NAPAldo-keto reductase family 1 member C3 / 1.507
1s1r NAPAldo-keto reductase family 1 member C3 / 1.483
4jtq NAPAldo-keto reductase family 1 member C2 / 1.390
4jq3 NAPAldo-keto reductase family 1 member C2 / 1.356
4l1x NAPAldo-keto reductase family 1 member C2 / 1.354
4xo7 NAPAldo-keto reductase family 1 member C2 / 1.337
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 1.137
2hdj NDPAldo-keto reductase family 1 member C2 / 1.123
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.113
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.097
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.052
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.046
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.043
2iq0 NAPAldose reductase 1.1.1.21 1.024
2acu NAPAldose reductase 1.1.1.21 0.986
1x98 NAPAldose reductase 1.1.1.21 0.981
2pf8 NDPAldose reductase 1.1.1.21 0.976
2j8t NAPAldose reductase 1.1.1.21 0.973
2acs NAPAldose reductase 1.1.1.21 0.958
2vdg NDPAldose reductase 1.1.1.21 0.933
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.927
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.922
3wcz NAPAldo-keto reductase AKR2E4 / 0.921
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.916
4pmj NAPPutative oxidoreductase / 0.915
1x96 NAPAldose reductase 1.1.1.21 0.909
2bgs NDPAldose reductase 1.1.1.21 0.908
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.908
3q67 NAPAldose reductase 1.1.1.21 0.908
2pev NDPAldose reductase 1.1.1.21 0.899
3v36 NAPAldose reductase 1.1.1.21 0.898
1z8a NAPAldose reductase 1.1.1.21 0.890
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 0.884
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 0.880
5c7h NDPPutative oxidoreductase / 0.877
1ads NAPAldose reductase 1.1.1.21 0.876
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.869
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.863
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.861
3h7r NAPAldo-keto reductase family 4 member C8 / 0.857
1ah4 NAPAldose reductase 1.1.1.21 0.850
3q65 NAPAldose reductase 1.1.1.21 0.844
4g5d NDPProstaglandin F synthase 1.1.1.188 0.841
1az2 NAPAldose reductase 1.1.1.21 0.837
2pfh NDPAldose reductase 1.1.1.21 0.832
1ef3 NAPAldose reductase 1.1.1.21 0.826
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.826
2acq NAPAldose reductase 1.1.1.21 0.823
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.821
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.819
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.800
3ln3 NADAldo-keto reductase family 1 member C13 / 0.799
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.798
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.779
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.777
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.777
1zgd NAPChalcone reductase / 0.771
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.764
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.743
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.742
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.740
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.738
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.726
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.726
1lqa NDPProtein tas / 0.717
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.713
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.707
1c9w NAPAldose reductase-related protein 2 / 0.695
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.686
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.673
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.670
2wzm NA7Uncharacterized oxidoreductase MSMEG_2407/MSMEI_2346 / 0.669
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.660
1pz0 NAPProtein IolS 1.1.1 0.657
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.657
4jta NAPVoltage-gated potassium channel subunit beta-2 / 0.657