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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
1k8c 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
1k8c NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.527
1r38 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.418
3buv NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.081
1q5m NDPProstaglandin-E(2) 9-reductase 1.1.1.189 1.075
2bgs NDPAldose reductase 1.1.1.21 1.069
3q67 NAPAldose reductase 1.1.1.21 1.044
3h7u NAPNADPH-dependent aldo-keto reductase, chloroplastic / 1.038
2hdj NDPAldo-keto reductase family 1 member C2 / 1.033
2j8t NAPAldose reductase 1.1.1.21 1.032
1x98 NAPAldose reductase 1.1.1.21 1.031
1mi3 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.027
2vdg NDPAldose reductase 1.1.1.21 1.024
2iq0 NAPAldose reductase 1.1.1.21 1.020
1z8a NAPAldose reductase 1.1.1.21 1.012
2pf8 NDPAldose reductase 1.1.1.21 1.012
3v36 NAPAldose reductase 1.1.1.21 1.010
1ye6 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 1.008
3uzw NAP3-oxo-5-beta-steroid 4-dehydrogenase / 1.007
3dop NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.995
4l1x NAPAldo-keto reductase family 1 member C2 / 0.993
3bv7 NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.992
1x96 NAPAldose reductase 1.1.1.21 0.991
1sm9 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.988
3h7r NAPAldo-keto reductase family 4 member C8 / 0.986
2acq NAPAldose reductase 1.1.1.21 0.982
1ye4 NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.981
4pmj NAPPutative oxidoreductase / 0.976
1s1p NAPAldo-keto reductase family 1 member C3 / 0.974
2pev NDPAldose reductase 1.1.1.21 0.970
4g5d NDPProstaglandin F synthase 1.1.1.188 0.967
4ijr NDPD-arabinose dehydrogenase [NAD(P)+] heavy chain 1.1.1.117 0.966
2acs NAPAldose reductase 1.1.1.21 0.961
1vp5 NAPOxidoreductase, aldo/keto reductase family / 0.960
3wcz NAPAldo-keto reductase AKR2E4 / 0.957
5c7h NDPPutative oxidoreductase / 0.954
1a80 NDP2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.937
2acu NAPAldose reductase 1.1.1.21 0.936
3caq NDP3-oxo-5-beta-steroid 4-dehydrogenase / 0.926
1ads NAPAldose reductase 1.1.1.21 0.924
4dz5 NAPAldo-keto reductase family 1 member C3 / 0.922
4xzn NAPAldo-keto reductase family 1 member B10 1.1.1 0.921
1ah4 NAPAldose reductase 1.1.1.21 0.920
1c9w NAPAldose reductase-related protein 2 / 0.901
1ef3 NAPAldose reductase 1.1.1.21 0.897
3o3r NAPAldose reductase-related protein 1 1.1.1.21 0.887
3qkz NAPAldose reductase-related protein 1 1.1.1.21 0.878
2pfh NDPAldose reductase 1.1.1.21 0.865
3g1r NAP3-oxo-5-beta-steroid 4-dehydrogenase / 0.864
1hqt NAPAlcohol dehydrogenase [NADP(+)] 1.1.1.2 0.858
1z9a NADNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.852
2clp NDPAflatoxin B1 aldehyde reductase member 3 / 0.852
1s1r NAPAldo-keto reductase family 1 member C3 / 0.843
3wbw NDPPutative 2,5-diketo-D-gluconic acid reductase / 0.841
4xzm NAPAldo-keto reductase family 1 member B10 1.1.1 0.837
2fvl NAPAldo-keto reductase family 1 member C4 1.1.1.225 0.831
3q65 NAPAldose reductase 1.1.1.21 0.825
1m9h NAD2,5-diketo-D-gluconic acid reductase A 1.1.1.346 0.815
1az2 NAPAldose reductase 1.1.1.21 0.809
4xo7 NAPAldo-keto reductase family 1 member C2 / 0.807
4jq3 NAPAldo-keto reductase family 1 member C2 / 0.801
3wg6 NDPNADPH-dependent conjugated polyketone reductase C1 / 0.791
2bp1 NDPAflatoxin B1 aldehyde reductase member 2 / 0.779
1ye6 NAPNAD(P)H-dependent D-xylose reductase 1.1.1.307 0.775
3ln3 NADAldo-keto reductase family 1 member C13 / 0.772
1gve NAPAflatoxin B1 aldehyde reductase member 3 1 0.760
1og6 NAPOxidoreductase YdhF 1 0.755
4jtq NAPAldo-keto reductase family 1 member C2 / 0.732
2he5 NDPAldo-keto reductase family 1 member C21 1.1.1 0.731
2p5n NDPAldo-keto reductase family 1 member C21 1.1.1 0.719
4aub NAPL-glyceraldehyde 3-phosphate reductase 1.1.1 0.702
2hej NDPAldo-keto reductase family 1 member C21 1.1.1 0.696
1pz0 NAPProtein IolS 1.1.1 0.694
1lqa NDPProtein tas / 0.689
1lwi NAP3-alpha-hydroxysteroid dehydrogenase 1.1.1.50 0.668
3lut NAPVoltage-gated potassium channel subunit beta-2 / 0.666
2c91 NAPAflatoxin B1 aldehyde reductase member 2 / 0.665
4jtd NAPVoltage-gated potassium channel subunit beta-2 / 0.658
4jtc NAPVoltage-gated potassium channel subunit beta-2 / 0.653