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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
1ae1 NAP Tropinone reductase 1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
1ae1 NAPTropinone reductase 1 / 1.286
4dbz NDPPutative ketoacyl reductase 1.3.1 0.914
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.896
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.896
1x7h NDPPutative ketoacyl reductase 1.3.1 0.887
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.883
4hwk NAPSepiapterin reductase 1.1.1.153 0.881
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.874
1ipe NDPTropinone reductase 2 1.1.1.236 0.873
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.870
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.866
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.864
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.861
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.856
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.855
3o26 NDPSalutaridine reductase / 0.853
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.851
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.848
1pr9 NAPL-xylulose reductase 1.1.1.10 0.846
3qrw NDPPutative ketoacyl reductase 1.3.1 0.844
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.843
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.841
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.829
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.829
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.829
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.828
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.828
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.827
5jla NADPutative short-chain dehydrogenase/reductase / 0.825
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.822
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.816
1oaa NAPSepiapterin reductase 1.1.1.153 0.816
1x7g NAPPutative ketoacyl reductase 1.3.1 0.816
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.814
4bmv NAPShort-chain dehydrogenase / 0.810
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.809
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.808
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.807
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.807
4j7x NAPSepiapterin reductase 1.1.1.153 0.807
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.804
3sju NDPKeto reductase / 0.799
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.798
4kwh NAPReductase homolog / 0.797
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.796
4b79 NADProbable short-chain dehydrogenase / 0.796
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.796
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.795
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.793
3ai2 NDPNADPH-sorbose reductase / 0.793
4j7u NAPSepiapterin reductase 1.1.1.153 0.792
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.790
3u4c NDPNADPH-dependent reductase BacG / 0.790
3l77 NJPShort-chain alcohol dehydrogenase / 0.789
4fn4 NADShort chain dehydrogenase / 0.789
3p19 NDPPutative blue fluorescent protein / 0.787
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.787
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.786
3tn7 NJPShort-chain alcohol dehydrogenase / 0.785
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.784
2wsb NADGalactitol dehydrogenase / 0.783
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.782
3ak4 NADNADH-dependent quinuclidinone reductase / 0.779
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.778
2c29 NAPDihydroflavonol 4-reductase / 0.777
3ai3 NDPNADPH-sorbose reductase / 0.777
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.777
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.776
2dte NAIGlucose 1-dehydrogenase related protein / 0.774
3geg NADShort-chain dehydrogenase/reductase SDR / 0.773
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.771
3wds NADNADH-dependent quinuclidinone reductase / 0.770
3d3w NAPL-xylulose reductase 1.1.1.10 0.769
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.768
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.767
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.766
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.764
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.764
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.761
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.760
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.759
2jah NDPClavaldehyde dehydrogenase / 0.758
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.755
2yy7 NADL-threonine dehydrogenase / 0.754
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.754
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.753
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.751
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.751
3s55 NADPutative short-chain dehydrogenase/reductase / 0.751
4hxy NDPPlm1 / 0.751
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.748
1w4z NAPPutative ketoacyl reductase 1.3.1 0.747
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.746
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.746
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.746
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.745
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.745
1sny NAPLD36273p / 0.744
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.744
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.743
3r3s NADPutative oxidoreductase / 0.743
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.742
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.739
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.736
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.733
1xkq NDPUncharacterized protein / 0.732
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.732
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.732
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.731
3sx2 NADUncharacterized protein / 0.730
3tsc NADUncharacterized protein / 0.729
4yag NAIC alpha-dehydrogenase / 0.729
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.727
4yai NAIC alpha-dehydrogenase / 0.727
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.726
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.725
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.725
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.724
3bmo NAPPteridine reductase / 0.722
4qed NAPElxO / 0.722
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.721
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.721
4wec NADShort chain dehydrogenase / 0.721
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.720
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.720
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.717
4clo NAPPteridine reductase / 0.717
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.717
5lc1 NADL-threonine 3-dehydrogenase / 0.716
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.715
1i3l NADUDP-glucose 4-epimerase / 0.714
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.709
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.708
3wmx NADNAD dependent epimerase/dehydratase / 0.708
3w6u NAP6-phosphogluconate dehydrogenase, NAD-binding protein / 0.707
1zem NADXylitol dehydrogenase / 0.706
2wdz NADGalactitol dehydrogenase / 0.704
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.703
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.703
3tox NAPPutative oxidoreductase / 0.702
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.701
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.701
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.700
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.700
5jyd NADShort chain dehydrogenase / 0.700
3f1k NAPUncharacterized oxidoreductase YciK 1 0.698
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.698
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.698
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.696
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.696
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.695
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.695
2bd0 NAPSepiapterin reductase / 0.694
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.692
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.692
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.692
5d2e NAPMlnE / 0.691
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.690
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.689
1g1a NADdTDP-glucose 4,6-dehydratase / 0.688
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.688
3mje NDPAmphB / 0.688
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.687
2p5y NADUDP-glucose 4-epimerase / 0.687
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.687
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.687
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.687
1sby NADAlcohol dehydrogenase 1.1.1.1 0.685
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.685
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.685
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.684
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.684
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.683
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.682
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.681
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.681
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.681
3aw9 NADNAD-dependent epimerase/dehydratase / 0.679
4qec NAPElxO / 0.678
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.677
3a9w NADNDP-sugar epimerase / 0.677
3h4v NAPPteridine reductase 1 1.5.1.33 0.677
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.676
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.676
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.676
4eso NAPPutative oxidoreductase / 0.676
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.676
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.675
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.674
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.674
4egb NADdTDP-glucose 4,6-dehydratase / 0.674
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.674
2pr2 DG1Enoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.673
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.673
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.672
2v6g NAP3-oxo-Delta(4,5)-steroid 5-beta-reductase / 0.672
4idg NADPutative UDP-glucose 4-epimerase / 0.672
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.671
1wnt NAPL-xylulose reductase 1.1.1.10 0.669
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.669
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.667
2vwh NAPGlucose 1-dehydrogenase / 0.667
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.666
4imp NDPPolyketide synthase extender modules 3-4 / 0.666
4u7w NDPMxaA / 0.666
4bv9 NDPKetimine reductase mu-crystallin 1.5.1.25 0.665
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.664
1iy8 NADLevodione reductase / 0.663
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.663
3h2s NDPPutative NADH-flavin reductase / 0.662
4wji NAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase / 0.662
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.661
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.660
4o1m NADEnoyl-acyl carrier reductase / 0.659
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.658
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.658
2b5v NAPGlucose 1-dehydrogenase / 0.658
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.657
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.656
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.656
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.654
4bkq NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.654
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.653
2vwp NDPGlucose 1-dehydrogenase / 0.653
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.653
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.651
2bfo NDPPteridine reductase 1 1.5.1.33 0.651
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.651
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.650
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.650
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.650