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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
3rj5 NAD Alcohol dehydrogenase 1.1.1.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
3rj5 NADAlcohol dehydrogenase 1.1.1.1 1.244
3rj9 NADAlcohol dehydrogenase 1.1.1.1 1.141
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 1.108
1b15 NAEAlcohol dehydrogenase 1.1.1.1 1.100
1b16 NAQAlcohol dehydrogenase 1.1.1.1 1.086
1b2l NDCAlcohol dehydrogenase 1.1.1.1 1.018
1sby NADAlcohol dehydrogenase 1.1.1.1 0.935
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.931
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.901
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.894
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.888
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.887
3p19 NDPPutative blue fluorescent protein / 0.883
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.883
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.878
1x7g NAPPutative ketoacyl reductase 1.3.1 0.871
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.867
4b79 NADProbable short-chain dehydrogenase / 0.867
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.864
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.861
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.859
2wsb NADGalactitol dehydrogenase / 0.859
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.856
1w4z NAPPutative ketoacyl reductase 1.3.1 0.854
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.854
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.848
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.846
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.840
1x7h NDPPutative ketoacyl reductase 1.3.1 0.839
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.839
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.837
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.836
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.834
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.834
2jah NDPClavaldehyde dehydrogenase / 0.832
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.832
3tsc NADUncharacterized protein / 0.827
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.826
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.825
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.825
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.825
4dbz NDPPutative ketoacyl reductase 1.3.1 0.820
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.819
3ak4 NADNADH-dependent quinuclidinone reductase / 0.819
3qrw NDPPutative ketoacyl reductase 1.3.1 0.817
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.814
4kwh NAPReductase homolog / 0.814
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.813
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.812
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.812
4hxy NDPPlm1 / 0.811
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.810
2wdz NADGalactitol dehydrogenase / 0.809
2c29 NAPDihydroflavonol 4-reductase / 0.808
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.807
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.806
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.806
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.805
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.802
3s55 NADPutative short-chain dehydrogenase/reductase / 0.801
4qec NAPElxO / 0.800
3sx2 NADUncharacterized protein / 0.799
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.799
3r3s NADPutative oxidoreductase / 0.798
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.797
1oaa NAPSepiapterin reductase 1.1.1.153 0.797
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.797
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.796
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.796
4j7u NAPSepiapterin reductase 1.1.1.153 0.792
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.791
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.791
3wds NADNADH-dependent quinuclidinone reductase / 0.791
5jla NADPutative short-chain dehydrogenase/reductase / 0.791
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.790
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.790
4fn4 NADShort chain dehydrogenase / 0.789
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.788
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.787
3o26 NDPSalutaridine reductase / 0.782
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.782
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.780
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.780
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.777
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.777
3ai2 NDPNADPH-sorbose reductase / 0.776
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.775
1zem NADXylitol dehydrogenase / 0.774
2p5y NADUDP-glucose 4-epimerase / 0.772
3ai3 NDPNADPH-sorbose reductase / 0.772
3geg NADShort-chain dehydrogenase/reductase SDR / 0.772
3l77 NJPShort-chain alcohol dehydrogenase / 0.772
1i3l NADUDP-glucose 4-epimerase / 0.771
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.771
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.771
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.770
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.768
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.768
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.767
3mje NDPAmphB / 0.767
3tn7 NJPShort-chain alcohol dehydrogenase / 0.767
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.767
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.765
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.765
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.765
3icp NADNAD-dependent epimerase/dehydratase / 0.764
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.763
1ipe NDPTropinone reductase 2 1.1.1.236 0.763
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.763
4qed NAPElxO / 0.763
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.760
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.758
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.758
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.758
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.758
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.755
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.755
4wec NADShort chain dehydrogenase / 0.755
1ae1 NAPTropinone reductase 1 / 0.754
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.754
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.753
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.752
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.751
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.751
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.751
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.750
3ko8 NADNAD-dependent epimerase/dehydratase / 0.749
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.748
4bmv NAPShort-chain dehydrogenase / 0.748
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.747
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.746
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.746
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.746
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.743
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.743
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.740
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.738
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.738
5d2e NAPMlnE / 0.738
2bd0 NAPSepiapterin reductase / 0.737
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.737
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.736
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.734
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.734
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.733
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.733
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.733
4yag NAIC alpha-dehydrogenase / 0.732
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.731
4j7x NAPSepiapterin reductase 1.1.1.153 0.730
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.729
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.729
3tox NAPPutative oxidoreductase / 0.729
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.728
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.727
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.726
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.726
3h4v NAPPteridine reductase 1 1.5.1.33 0.725
1pr9 NAPL-xylulose reductase 1.1.1.10 0.724
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.724
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.723
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.723
1orr NADCDP-paratose 2-epimerase / 0.721
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.721
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.721
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.720
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.720
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.720
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.718
2p5u NADUDP-glucose 4-epimerase / 0.718
2yy7 NADL-threonine dehydrogenase / 0.718
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.717
3orf NADDihydropteridine reductase 1.5.1.34 0.717
3sju NDPKeto reductase / 0.716
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.715
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.714
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.714
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.713
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.713
2dte NAIGlucose 1-dehydrogenase related protein / 0.712
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.711
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.711
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.707
5lc1 NADL-threonine 3-dehydrogenase / 0.707
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.706
1xkq NDPUncharacterized protein / 0.706
3d3w NAPL-xylulose reductase 1.1.1.10 0.706
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.706
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.705
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.705
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.704
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.704
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.704
2yut NAPPutative short-chain oxidoreductase / 0.703
4o1m NADEnoyl-acyl carrier reductase / 0.702
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.701
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.701
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.700
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.700
1sny NAPLD36273p / 0.697
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.697
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.696
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.695
3a9w NADNDP-sugar epimerase / 0.695
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.695
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.695
4u7w NDPMxaA / 0.695
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.694
4hwk NAPSepiapterin reductase 1.1.1.153 0.694
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.693
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.692
5jyd NADShort chain dehydrogenase / 0.691
4yai NAIC alpha-dehydrogenase / 0.690
2y05 NAPProstaglandin reductase 1 / 0.688
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.688
1g1a NADdTDP-glucose 4,6-dehydratase / 0.687
4imp NDPPolyketide synthase extender modules 3-4 / 0.687
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.686
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.686
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.686
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.685
1wvg APRCDP-glucose 4,6-dehydratase 4.2.1.45 0.681
4idg NADPutative UDP-glucose 4-epimerase / 0.681
4egb NADdTDP-glucose 4,6-dehydratase / 0.680
1rpn NDPGDP-mannose 4,6-dehydratase / 0.676
2z1m NDPGDP-mannose 4,6-dehydratase / 0.676
3u4c NDPNADPH-dependent reductase BacG / 0.676
3a4v NADNDP-sugar epimerase / 0.672
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.671
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.670
1hyh NADL-2-hydroxyisocaproate dehydrogenase / 0.669
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.669
3ajr NADNDP-sugar epimerase / 0.669
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.668
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.667
2c20 NADUDP-glucose 4-epimerase / 0.666
3qvs NADMyo-inositol-1-phosphate synthase (Ino1) / 0.665
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.662
3iup NDPPossible NADH oxidoreductase / 0.661
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.660
2g76 NADD-3-phosphoglycerate dehydrogenase 1.1.1.95 0.660
1j5p NADL-aspartate dehydrogenase 1.4.1.21 0.658
1p9b IMOAdenylosuccinate synthetase / 0.658
2b36 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.658
4bkq NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.658
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.658
1ek5 NADUDP-glucose 4-epimerase / 0.656
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.656
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.656
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.656
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.656
1dhr NADDihydropteridine reductase 1.5.1.34 0.655
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.655
3ulk NDPKetol-acid reductoisomerase (NADP(+)) / 0.655
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.654
3lqf NADGalactitol dehydrogenase / 0.654
3wmx NADNAD dependent epimerase/dehydratase / 0.654
4qxm NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.654
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.652
3nt2 NADInositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase 1.1.1.18 0.652
1h50 FMNPentaerythritol tetranitrate reductase / 0.651
3aw9 NADNAD-dependent epimerase/dehydratase / 0.651