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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
1ipe NDP Tropinone reductase 2 1.1.1.236

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
1ipe NDPTropinone reductase 2 1.1.1.236 1.355
4dbz NDPPutative ketoacyl reductase 1.3.1 0.940
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.918
3tn7 NJPShort-chain alcohol dehydrogenase / 0.917
3qrw NDPPutative ketoacyl reductase 1.3.1 0.895
4hwk NAPSepiapterin reductase 1.1.1.153 0.894
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.888
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.888
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.878
3l77 NJPShort-chain alcohol dehydrogenase / 0.877
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.876
1ae1 NAPTropinone reductase 1 / 0.873
4bmv NAPShort-chain dehydrogenase / 0.871
1x7h NDPPutative ketoacyl reductase 1.3.1 0.863
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.858
1pr9 NAPL-xylulose reductase 1.1.1.10 0.851
3geg NADShort-chain dehydrogenase/reductase SDR / 0.848
1oaa NAPSepiapterin reductase 1.1.1.153 0.845
3ai2 NDPNADPH-sorbose reductase / 0.843
3wds NADNADH-dependent quinuclidinone reductase / 0.843
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.843
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.840
4j7u NAPSepiapterin reductase 1.1.1.153 0.837
1w4z NAPPutative ketoacyl reductase 1.3.1 0.836
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.835
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.830
4yai NAIC alpha-dehydrogenase / 0.829
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.826
3p19 NDPPutative blue fluorescent protein / 0.824
5jla NADPutative short-chain dehydrogenase/reductase / 0.824
1x7g NAPPutative ketoacyl reductase 1.3.1 0.823
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.818
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.817
4j7x NAPSepiapterin reductase 1.1.1.153 0.815
2dte NAIGlucose 1-dehydrogenase related protein / 0.811
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.811
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.810
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.810
3d3w NAPL-xylulose reductase 1.1.1.10 0.809
4yag NAIC alpha-dehydrogenase / 0.809
4kwh NAPReductase homolog / 0.808
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.808
3o26 NDPSalutaridine reductase / 0.806
2bd0 NAPSepiapterin reductase / 0.801
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.797
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.796
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.796
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.794
1sny NAPLD36273p / 0.792
3sju NDPKeto reductase / 0.792
4b79 NADProbable short-chain dehydrogenase / 0.792
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.790
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.790
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.789
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.788
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.788
3ai3 NDPNADPH-sorbose reductase / 0.788
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.788
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.786
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.785
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.785
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.780
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.779
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.779
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.778
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.776
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.774
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.774
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.773
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.773
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.773
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.769
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.769
1xkq NDPUncharacterized protein / 0.768
3ak4 NADNADH-dependent quinuclidinone reductase / 0.768
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.767
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.764
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.763
4eso NAPPutative oxidoreductase / 0.763
3tsc NADUncharacterized protein / 0.762
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.761
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.760
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.759
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.759
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.758
2jah NDPClavaldehyde dehydrogenase / 0.758
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.757
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.757
4fn4 NADShort chain dehydrogenase / 0.757
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.755
3sx2 NADUncharacterized protein / 0.755
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.753
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.751
2wsb NADGalactitol dehydrogenase / 0.751
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.751
4qed NAPElxO / 0.748
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.747
3tox NAPPutative oxidoreductase / 0.744
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.742
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.741
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.737
4u7w NDPMxaA / 0.732
4imp NDPPolyketide synthase extender modules 3-4 / 0.731
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.730
2c29 NAPDihydroflavonol 4-reductase / 0.727
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.727
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.726
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.726
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.726
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.726
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.724
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.724
5d2e NAPMlnE / 0.724
4qec NAPElxO / 0.723
4hxy NDPPlm1 / 0.722
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.720
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.719
4wec NADShort chain dehydrogenase / 0.719
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.718
1iy8 NADLevodione reductase / 0.718
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.717
2bfo NDPPteridine reductase 1 1.5.1.33 0.717
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.715
1zem NADXylitol dehydrogenase / 0.713
2yy7 NADL-threonine dehydrogenase / 0.713
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.713
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.712
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.712
1sby NADAlcohol dehydrogenase 1.1.1.1 0.709
5lc1 NADL-threonine 3-dehydrogenase / 0.709
3icp NADNAD-dependent epimerase/dehydratase / 0.706
3r3s NADPutative oxidoreductase / 0.706
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.705
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.705
3s55 NADPutative short-chain dehydrogenase/reductase / 0.704
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.700
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.699
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.699
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.699
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.698
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.698
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.698
1rpn NDPGDP-mannose 4,6-dehydratase / 0.695
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.695
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.694
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.693
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.693
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.692
4wji NAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase / 0.692
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.691
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.691
5jyd NADShort chain dehydrogenase / 0.691
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.689
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.689
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.689
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.688
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.688
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.688
4h0u UMPThymidylate synthase / 0.687
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.686
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.683
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.682
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.682
2v6g NAP3-oxo-Delta(4,5)-steroid 5-beta-reductase / 0.682
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.682
3mje NDPAmphB / 0.681
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.681
2yut NAPPutative short-chain oxidoreductase / 0.680
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.680
3lqf NADGalactitol dehydrogenase / 0.680
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.680
3baz NAPHydroxyphenylpyruvate reductase 1.1.1.237 0.679
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.677
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.676
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.676
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.675
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.675
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.673
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
3bmo NAPPteridine reductase / 0.672
3a4v NADNDP-sugar epimerase / 0.671
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.670
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.669
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.669
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.669
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.668
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.668
4clo NAPPteridine reductase / 0.667
4h8n NDPNADPH-dependent conjugated polyketone reductase C2 / 0.667
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.667
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.666
2nq8 ZIDEnoyl-ACP reductase / 0.666
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.666
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.666
2wdz NADGalactitol dehydrogenase / 0.665
3h4v NAPPteridine reductase 1 1.5.1.33 0.665
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.664
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.663
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.663
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.663
3aw9 NADNAD-dependent epimerase/dehydratase / 0.662
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.661
2p5y NADUDP-glucose 4-epimerase / 0.661
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.661
5j23 A2RPutative 2-hydroxyacid dehydrogenase / 0.661
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.659
1e7q NAPGDP-L-fucose synthase / 0.658
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.658
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.658
1aj2 2PHDihydropteroate synthase / 0.657
3a9w NADNDP-sugar epimerase / 0.657
4xb2 NDP319aa long hypothetical homoserine dehydrogenase / 0.657
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.656
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.656
3lzw NAPFerredoxin--NADP reductase 2 1.18.1.2 0.655
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.654
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.654
1orr NADCDP-paratose 2-epimerase / 0.653
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.653
3uce NDPDehydrogenase / 0.653
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.653
3hgs FMN12-oxophytodienoate reductase 3 1.3.1.42 0.652
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.652
3ajr NADNDP-sugar epimerase / 0.651
4a5l NDPThioredoxin reductase / 0.651
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.651
4b67 NAPL-ornithine N(5)-monooxygenase / 0.650
4b68 NAPL-ornithine N(5)-monooxygenase / 0.650
5a03 NDPGlucose-fructose oxidoreductase / 0.650