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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
3lqf NAD Galactitol dehydrogenase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3lqf NADGalactitol dehydrogenase / 1.027
2wsb NADGalactitol dehydrogenase / 0.811
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.801
3qrw NDPPutative ketoacyl reductase 1.3.1 0.763
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.761
2wdz NADGalactitol dehydrogenase / 0.758
3wds NADNADH-dependent quinuclidinone reductase / 0.743
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.736
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.736
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.733
4qec NAPElxO / 0.733
3sx2 NADUncharacterized protein / 0.730
3p19 NDPPutative blue fluorescent protein / 0.722
1x7h NDPPutative ketoacyl reductase 1.3.1 0.721
3ak4 NADNADH-dependent quinuclidinone reductase / 0.717
3tsc NADUncharacterized protein / 0.717
4qed NAPElxO / 0.715
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.711
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.710
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.708
3tn7 NJPShort-chain alcohol dehydrogenase / 0.707
5jla NADPutative short-chain dehydrogenase/reductase / 0.707
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.704
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.702
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.700
1w4z NAPPutative ketoacyl reductase 1.3.1 0.696
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.696
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.696
4wec NADShort chain dehydrogenase / 0.696
3s55 NADPutative short-chain dehydrogenase/reductase / 0.695
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.693
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.693
4fn4 NADShort chain dehydrogenase / 0.693
4dbz NDPPutative ketoacyl reductase 1.3.1 0.692
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.691
2c29 NAPDihydroflavonol 4-reductase / 0.690
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.690
2jah NDPClavaldehyde dehydrogenase / 0.689
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.689
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.687
3ai3 NDPNADPH-sorbose reductase / 0.686
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.684
1x7g NAPPutative ketoacyl reductase 1.3.1 0.683
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.682
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.682
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.681
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.681
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.681
1ipe NDPTropinone reductase 2 1.1.1.236 0.680
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.680
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.679
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.679
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.679
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.677
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.677
3geg NADShort-chain dehydrogenase/reductase SDR / 0.675
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.675
3sju NDPKeto reductase / 0.675
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.674
3l77 NJPShort-chain alcohol dehydrogenase / 0.674
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.673
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.673
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.670
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.670
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.669
1oaa NAPSepiapterin reductase 1.1.1.153 0.667
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.666
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.665
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.665
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.664
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.663
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.663
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.662
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.662
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.661
3r3s NADPutative oxidoreductase / 0.661
2yy7 NADL-threonine dehydrogenase / 0.660
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.660
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.659
3ai2 NDPNADPH-sorbose reductase / 0.659
4hwk NAPSepiapterin reductase 1.1.1.153 0.658
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.656
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.656
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.656
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.655
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.655
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.654
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.654
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.654
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.653
3d3w NAPL-xylulose reductase 1.1.1.10 0.653
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.653
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.652
2bd0 NAPSepiapterin reductase / 0.651
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.651
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.651
4yag NAIC alpha-dehydrogenase / 0.651
2c20 NADUDP-glucose 4-epimerase / 0.650
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.650
4bmv NAPShort-chain dehydrogenase / 0.650