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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
2dkn NAI 3-alpha-hydroxysteroid dehydrogenase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 1.273
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.962
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.940
3tsc NADUncharacterized protein / 0.927
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.921
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.918
4bmv NAPShort-chain dehydrogenase / 0.913
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.911
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.905
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.897
5jla NADPutative short-chain dehydrogenase/reductase / 0.897
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.885
3sju NDPKeto reductase / 0.884
3s55 NADPutative short-chain dehydrogenase/reductase / 0.882
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.879
3sx2 NADUncharacterized protein / 0.877
1orr NADCDP-paratose 2-epimerase / 0.876
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.868
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.867
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.863
1pr9 NAPL-xylulose reductase 1.1.1.10 0.862
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.862
3p19 NDPPutative blue fluorescent protein / 0.862
2dte NAIGlucose 1-dehydrogenase related protein / 0.861
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.860
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.860
3r3s NADPutative oxidoreductase / 0.858
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.855
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.852
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.847
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.846
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.845
3l77 NJPShort-chain alcohol dehydrogenase / 0.844
3tn7 NJPShort-chain alcohol dehydrogenase / 0.844
3o26 NDPSalutaridine reductase / 0.838
4yai NAIC alpha-dehydrogenase / 0.838
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.837
1iy8 NADLevodione reductase / 0.835
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.835
1ipe NDPTropinone reductase 2 1.1.1.236 0.830
3ak4 NADNADH-dependent quinuclidinone reductase / 0.830
4yag NAIC alpha-dehydrogenase / 0.828
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.827
2wsb NADGalactitol dehydrogenase / 0.826
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.826
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.824
4j7u NAPSepiapterin reductase 1.1.1.153 0.824
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.823
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.821
1w4z NAPPutative ketoacyl reductase 1.3.1 0.820
2c29 NAPDihydroflavonol 4-reductase / 0.818
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.817
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.817
3d3w NAPL-xylulose reductase 1.1.1.10 0.816
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.815
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.812
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.810
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.810
4b79 NADProbable short-chain dehydrogenase / 0.810
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.808
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.807
4kwh NAPReductase homolog / 0.806
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.804
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.802
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.800
3ko8 NADNAD-dependent epimerase/dehydratase / 0.800
3uce NDPDehydrogenase / 0.800
2jah NDPClavaldehyde dehydrogenase / 0.798
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.795
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.795
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.791
1oaa NAPSepiapterin reductase 1.1.1.153 0.791
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.787
1sny NAPLD36273p / 0.786
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.786
4dbz NDPPutative ketoacyl reductase 1.3.1 0.785
3icp NADNAD-dependent epimerase/dehydratase / 0.784
4j7x NAPSepiapterin reductase 1.1.1.153 0.783
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.782
3qrw NDPPutative ketoacyl reductase 1.3.1 0.782
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.781
4fn4 NADShort chain dehydrogenase / 0.781
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.780
1x7h NDPPutative ketoacyl reductase 1.3.1 0.779
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.778
3wds NADNADH-dependent quinuclidinone reductase / 0.778
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.778
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.778
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.778
5jyd NADShort chain dehydrogenase / 0.778
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.777
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.776
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.776
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.776
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.775
4eso NAPPutative oxidoreductase / 0.775
4hwk NAPSepiapterin reductase 1.1.1.153 0.773
1x7g NAPPutative ketoacyl reductase 1.3.1 0.771
2bd0 NAPSepiapterin reductase / 0.770
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.770
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.769
1i3l NADUDP-glucose 4-epimerase / 0.767
2p5y NADUDP-glucose 4-epimerase / 0.766
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.763
4qec NAPElxO / 0.763
1xkq NDPUncharacterized protein / 0.762
1zem NADXylitol dehydrogenase / 0.762
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.760
1ae1 NAPTropinone reductase 1 / 0.759
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.759
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.759
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.757
4wec NADShort chain dehydrogenase / 0.757
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.755
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.755
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.753
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.753
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.752
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.749
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.749
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.749
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.749
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.749
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.749
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.749
2c20 NADUDP-glucose 4-epimerase / 0.748
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.748
4o1m NADEnoyl-acyl carrier reductase / 0.747
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.745
2p5u NADUDP-glucose 4-epimerase / 0.744
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.743
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.743
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.742
3ai3 NDPNADPH-sorbose reductase / 0.742
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.741
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.741
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.740
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.739
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.739
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.739
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.738
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.738
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.738
3aw9 NADNAD-dependent epimerase/dehydratase / 0.736
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.735
3ai2 NDPNADPH-sorbose reductase / 0.734
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.732
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.732
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.730
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.730
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.728
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.728
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.728
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.726
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.725
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.725
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.724
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.724
3mje NDPAmphB / 0.723
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.723
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.722
3a4v NADNDP-sugar epimerase / 0.721
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.721
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.720
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.720
2wdz NADGalactitol dehydrogenase / 0.719
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.719
4qed NAPElxO / 0.719
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.717
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.717
3tox NAPPutative oxidoreductase / 0.717
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.714
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.714
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.713
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.713
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.712
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.712
5d2e NAPMlnE / 0.712
3n7u NADFormate dehydrogenase, chloroplastic/mitochondrial / 0.711
4y9d NAIC alpha-dehydrogenase / 0.708
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.706
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.705
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.705
1ek5 NADUDP-glucose 4-epimerase / 0.704
2yy7 NADL-threonine dehydrogenase / 0.704
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.703
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.702
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.701
1sby NADAlcohol dehydrogenase 1.1.1.1 0.701
3bmo NAPPteridine reductase / 0.701
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.700
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.700
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.698
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.695
4cr8 NADN-acylmannosamine 1-dehydrogenase 1.1.1.233 0.695
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.695
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.694
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.692
3ajr NADNDP-sugar epimerase / 0.692
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.692
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.691
3lqf NADGalactitol dehydrogenase / 0.691
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.689
5a1t NAIL-lactate dehydrogenase / 0.689
4idg NADPutative UDP-glucose 4-epimerase / 0.688
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.686
1g1a NADdTDP-glucose 4,6-dehydratase / 0.686
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.686
3a9w NADNDP-sugar epimerase / 0.685
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.684
4u7w NDPMxaA / 0.683
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.680
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.680
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.679
4jnk NAIL-lactate dehydrogenase A chain 1.1.1.27 0.679
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.678
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.678
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.677
3a1n NADNDP-sugar epimerase / 0.676
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.675
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.675
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.674
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.674
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.674
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.673
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.673
2yut NAPPutative short-chain oxidoreductase / 0.672
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
1t2a GDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.671
3wmx NADNAD dependent epimerase/dehydratase / 0.671
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.670
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.670
1wvg APRCDP-glucose 4,6-dehydratase 4.2.1.45 0.669
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.669
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.669
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.668
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.667
4yac NAIC alpha-dehydrogenase / 0.667
1wnt NAPL-xylulose reductase 1.1.1.10 0.666
3qv1 NADGlyceraldehyde-3-phosphate dehydrogenase GAPA1, chloroplastic 1.2.1.13 0.666
4egb NADdTDP-glucose 4,6-dehydratase / 0.666
4hxy NDPPlm1 / 0.666
4c4o NADSADH / 0.665
5lc1 NADL-threonine 3-dehydrogenase / 0.664
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.663
1m75 NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.662
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.662
2pr2 DG1Enoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.662
3q3c NADNAD-dependent L-serine dehydrogenase / 0.662
4ros APRMalate dehydrogenase / 0.661
1e7q NAPGDP-L-fucose synthase / 0.660
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.660
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.660
3geg NADShort-chain dehydrogenase/reductase SDR / 0.659
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.658
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.658
3qvt NAIMyo-inositol-1-phosphate synthase (Ino1) / 0.657
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.657
3f1k NAPUncharacterized oxidoreductase YciK 1 0.656
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.656
3orf NADDihydropteridine reductase 1.5.1.34 0.656
2voj NADAlanine dehydrogenase 1.4.1.1 0.655
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.655
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.654
3q2k NAIProbable oxidoreductase / 0.654
2vp0 TTPDeoxynucleoside kinase / 0.653
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.653
4k28 NADShikimate dehydrogenase family protein / 0.653
4bkq NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.652
4dwv NAJAlcohol dehydrogenase E chain 1.1.1.1 0.652
1mgo NADAlcohol dehydrogenase E chain 1.1.1.1 0.651
2d8a NADL-threonine 3-dehydrogenase / 0.651
4yr9 NADL-threonine 3-dehydrogenase, mitochondrial 1.1.1.103 0.651
5cdt NAJAlcohol dehydrogenase E chain 1.1.1.1 0.651
5kcz NAJAlcohol dehydrogenase E chain 1.1.1.1 0.651
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.650
4ng5 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.650