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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
3wds NAD NADH-dependent quinuclidinone reductase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
3wds NADNADH-dependent quinuclidinone reductase / 1.305
3ak4 NADNADH-dependent quinuclidinone reductase / 1.101
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 1.029
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 1.008
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.994
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.983
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.980
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.970
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.969
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.969
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.962
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.958
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.952
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.944
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.943
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.942
4b79 NADProbable short-chain dehydrogenase / 0.942
4dbz NDPPutative ketoacyl reductase 1.3.1 0.942
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.940
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.924
1x7h NDPPutative ketoacyl reductase 1.3.1 0.922
4kwh NAPReductase homolog / 0.920
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.913
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.913
3p19 NDPPutative blue fluorescent protein / 0.911
5jla NADPutative short-chain dehydrogenase/reductase / 0.911
4wec NADShort chain dehydrogenase / 0.902
2wsb NADGalactitol dehydrogenase / 0.899
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.898
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.898
3ai2 NDPNADPH-sorbose reductase / 0.890
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.888
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.884
3qrw NDPPutative ketoacyl reductase 1.3.1 0.881
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.878
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.876
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.872
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.870
3o26 NDPSalutaridine reductase / 0.870
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.868
2jah NDPClavaldehyde dehydrogenase / 0.865
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.865
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.865
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.860
3sju NDPKeto reductase / 0.857
1w4z NAPPutative ketoacyl reductase 1.3.1 0.855
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.855
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.853
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.853
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.852
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.849
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.849
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.847
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.846
4fn4 NADShort chain dehydrogenase / 0.846
3geg NADShort-chain dehydrogenase/reductase SDR / 0.845
1ipe NDPTropinone reductase 2 1.1.1.236 0.843
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.842
3s55 NADPutative short-chain dehydrogenase/reductase / 0.842
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.841
2dte NAIGlucose 1-dehydrogenase related protein / 0.841
4bmv NAPShort-chain dehydrogenase / 0.840
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.838
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.837
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.837
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.837
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.837
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.833
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.833
4hwk NAPSepiapterin reductase 1.1.1.153 0.833
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.832
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.830
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.828
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.827
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.827
2c29 NAPDihydroflavonol 4-reductase / 0.824
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.820
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.820
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.817
4j7u NAPSepiapterin reductase 1.1.1.153 0.816
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.815
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.815
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.814
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.814
3sx2 NADUncharacterized protein / 0.812
4qed NAPElxO / 0.810
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.809
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.808
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.807
3d3w NAPL-xylulose reductase 1.1.1.10 0.807
4qec NAPElxO / 0.806
1sny NAPLD36273p / 0.802
4yai NAIC alpha-dehydrogenase / 0.801
1pr9 NAPL-xylulose reductase 1.1.1.10 0.800
1sby NADAlcohol dehydrogenase 1.1.1.1 0.799
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.796
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.795
4u7w NDPMxaA / 0.794
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.792
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.791
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.791
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.790
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.787
2bd0 NAPSepiapterin reductase / 0.786
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.786
3ai3 NDPNADPH-sorbose reductase / 0.786
3tsc NADUncharacterized protein / 0.786
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.785
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.784
4j7x NAPSepiapterin reductase 1.1.1.153 0.782
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.782
1xkq NDPUncharacterized protein / 0.781
1x7g NAPPutative ketoacyl reductase 1.3.1 0.780
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.779
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.778
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.778
2wdz NADGalactitol dehydrogenase / 0.778
1zem NADXylitol dehydrogenase / 0.777
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.777
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.776
1oaa NAPSepiapterin reductase 1.1.1.153 0.776
3r3s NADPutative oxidoreductase / 0.776
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.775
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.775
3ko8 NADNAD-dependent epimerase/dehydratase / 0.773
4yag NAIC alpha-dehydrogenase / 0.773
5d2e NAPMlnE / 0.773
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.772
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.772
1ae1 NAPTropinone reductase 1 / 0.770
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.770
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.770
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.770
2p5u NADUDP-glucose 4-epimerase / 0.768
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.766
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.765
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.764
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.764
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.763
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.762
3uce NDPDehydrogenase / 0.759
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.758
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.757
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.757
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.755
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.751
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.750
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.748
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.748
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.748
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.747
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.746
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.746
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.745
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.743
3lqf NADGalactitol dehydrogenase / 0.743
3l77 NJPShort-chain alcohol dehydrogenase / 0.742
1orr NADCDP-paratose 2-epimerase / 0.739
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.738
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.738
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.738
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.737
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.737
1g1a NADdTDP-glucose 4,6-dehydratase / 0.735
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.735
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.734
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.733
3tn7 NJPShort-chain alcohol dehydrogenase / 0.732
2p5y NADUDP-glucose 4-epimerase / 0.729
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.729
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.729
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.728
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.728
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.728
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.727
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.726
2yut NAPPutative short-chain oxidoreductase / 0.726
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.726
1i3l NADUDP-glucose 4-epimerase / 0.724
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.722
4idg NADPutative UDP-glucose 4-epimerase / 0.722
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.721
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.720
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.717
5jyd NADShort chain dehydrogenase / 0.717
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.716
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.716
2yy7 NADL-threonine dehydrogenase / 0.715
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.715
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.713
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.713
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.712
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.712
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.712
3bmo NAPPteridine reductase / 0.712
3wmx NADNAD dependent epimerase/dehydratase / 0.712
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.711
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.711
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.710
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.709
3tox NAPPutative oxidoreductase / 0.709
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.708
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.708
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.708
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.706
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.706
3a9w NADNDP-sugar epimerase / 0.705
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.705
4egb NADdTDP-glucose 4,6-dehydratase / 0.705
4yac NAIC alpha-dehydrogenase / 0.705
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.701
4n5n NAPAcetoacetyl-CoA reductase 1.1.1.36 0.700
1i36 NAPConserved protein / 0.699
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.699
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.697
3aw9 NADNAD-dependent epimerase/dehydratase / 0.697
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.695
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.693
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.692
3h4v NAPPteridine reductase 1 1.5.1.33 0.691
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.691
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
5c2t FADSuccinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial / 0.690
2p35 SAHTrans-aconitate 2-methyltransferase / 0.686
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.685
2z1m NDPGDP-mannose 4,6-dehydratase / 0.685
3icp NADNAD-dependent epimerase/dehydratase / 0.685
1ek5 NADUDP-glucose 4-epimerase / 0.684
5lc1 NADL-threonine 3-dehydrogenase / 0.684
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.683
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.683
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.680
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.676
4c4o NADSADH / 0.676
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.676
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.675
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.675
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.674
3a4v NADNDP-sugar epimerase / 0.674
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.673
1d2h SAHGlycine N-methyltransferase 2.1.1.20 0.672
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.672
1ht0 NADAlcohol dehydrogenase 1C 1.1.1.1 0.670
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.670
3ajr NADNDP-sugar epimerase / 0.670
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.669
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.668
2ewm NAD(S)-1-Phenylethanol dehydrogenase 1.1.1.311 0.668
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.668
4bkq NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.667
4o1m NADEnoyl-acyl carrier reductase / 0.667
1rpn NDPGDP-mannose 4,6-dehydratase / 0.666
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.666
2qe6 SAMUncharacterized protein / 0.666
3wfj NAD2-dehydropantoate 2-reductase / 0.666
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.666
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.665
2xdo FADTetX family tetracycline inactivation enzyme / 0.662
1uxj NADMalate dehydrogenase / 0.660
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.660
2i9p NAD3-hydroxyisobutyrate dehydrogenase, mitochondrial 1.1.1.31 0.659
3w6u NAP6-phosphogluconate dehydrogenase, NAD-binding protein / 0.659
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.658
4xb2 NDP319aa long hypothetical homoserine dehydrogenase / 0.658
3wsw NADL-lactate dehydrogenase / 0.657
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.656
3f1k NAPUncharacterized oxidoreductase YciK 1 0.655
1aqi SAHModification methylase TaqI 2.1.1.72 0.654
3uj7 SAMPhosphoethanolamine N-methyltransferase / 0.654
5hws NAP2-dehydropantoate 2-reductase / 0.654
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.653
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.653
1rp0 AHZThiamine thiazole synthase, chloroplastic / 0.652
3orf NADDihydropteridine reductase 1.5.1.34 0.652
1vrw NAIEnoyl-ACP reductase / 0.651