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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
3ak4 NAD NADH-dependent quinuclidinone reductase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
3ak4 NADNADH-dependent quinuclidinone reductase / 1.257
3wds NADNADH-dependent quinuclidinone reductase / 1.101
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 1.041
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.993
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.989
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.953
4b79 NADProbable short-chain dehydrogenase / 0.934
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.933
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.931
1x7h NDPPutative ketoacyl reductase 1.3.1 0.929
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.928
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.911
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.909
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.901
4kwh NAPReductase homolog / 0.898
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.896
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.895
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.895
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.889
3qrw NDPPutative ketoacyl reductase 1.3.1 0.883
3ai2 NDPNADPH-sorbose reductase / 0.879
5jla NADPutative short-chain dehydrogenase/reductase / 0.878
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.876
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.872
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.870
4dbz NDPPutative ketoacyl reductase 1.3.1 0.869
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.863
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.862
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.859
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.859
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.858
1x7g NAPPutative ketoacyl reductase 1.3.1 0.857
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.856
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.854
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.851
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.850
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.846
3p19 NDPPutative blue fluorescent protein / 0.842
3s55 NADPutative short-chain dehydrogenase/reductase / 0.841
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.840
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.838
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.836
3o26 NDPSalutaridine reductase / 0.835
4wec NADShort chain dehydrogenase / 0.835
2jah NDPClavaldehyde dehydrogenase / 0.834
2wsb NADGalactitol dehydrogenase / 0.831
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.831
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.830
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.830
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.828
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.827
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.825
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.825
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.824
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.824
2bd0 NAPSepiapterin reductase / 0.823
2c29 NAPDihydroflavonol 4-reductase / 0.822
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.820
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.820
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.819
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.819
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.815
2wdz NADGalactitol dehydrogenase / 0.815
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.814
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.814
4fn4 NADShort chain dehydrogenase / 0.813
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.813
3tsc NADUncharacterized protein / 0.810
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.808
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.807
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.807
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.807
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.806
1zem NADXylitol dehydrogenase / 0.805
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.805
1pr9 NAPL-xylulose reductase 1.1.1.10 0.804
4bmv NAPShort-chain dehydrogenase / 0.804
4hwk NAPSepiapterin reductase 1.1.1.153 0.804
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.803
3geg NADShort-chain dehydrogenase/reductase SDR / 0.802
2dte NAIGlucose 1-dehydrogenase related protein / 0.801
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.801
3r3s NADPutative oxidoreductase / 0.800
4j7u NAPSepiapterin reductase 1.1.1.153 0.798
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.796
4qed NAPElxO / 0.796
3tn7 NJPShort-chain alcohol dehydrogenase / 0.795
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.792
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.792
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.791
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.790
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.790
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.789
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.789
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.789
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.788
4yag NAIC alpha-dehydrogenase / 0.788
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.788
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.787
2p5y NADUDP-glucose 4-epimerase / 0.785
3ai3 NDPNADPH-sorbose reductase / 0.785
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.785
4yai NAIC alpha-dehydrogenase / 0.782
4qec NAPElxO / 0.781
1ae1 NAPTropinone reductase 1 / 0.779
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.779
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.778
5jyd NADShort chain dehydrogenase / 0.778
3l77 NJPShort-chain alcohol dehydrogenase / 0.775
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.774
1sby NADAlcohol dehydrogenase 1.1.1.1 0.772
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.772
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.771
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.770
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.770
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.770
3d3w NAPL-xylulose reductase 1.1.1.10 0.770
3uce NDPDehydrogenase / 0.770
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.770
3sx2 NADUncharacterized protein / 0.769
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.769
1ipe NDPTropinone reductase 2 1.1.1.236 0.768
2yy7 NADL-threonine dehydrogenase / 0.767
2p5u NADUDP-glucose 4-epimerase / 0.765
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.764
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.763
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.763
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.762
1sny NAPLD36273p / 0.761
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.761
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.761
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.760
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.758
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.757
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.755
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.755
2yut NAPPutative short-chain oxidoreductase / 0.754
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.752
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.752
1oaa NAPSepiapterin reductase 1.1.1.153 0.751
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.751
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.751
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.750
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.749
3aw9 NADNAD-dependent epimerase/dehydratase / 0.749
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.748
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.748
3sju NDPKeto reductase / 0.746
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.745
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.743
3tox NAPPutative oxidoreductase / 0.740
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.739
5d2e NAPMlnE / 0.738
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.737
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.737
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.736
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.735
1w4z NAPPutative ketoacyl reductase 1.3.1 0.734
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.734
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.734
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.732
1i3l NADUDP-glucose 4-epimerase / 0.730
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.730
4j7x NAPSepiapterin reductase 1.1.1.153 0.730
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.729
3icp NADNAD-dependent epimerase/dehydratase / 0.728
4clo NAPPteridine reductase / 0.728
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.726
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.725
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.725
1iy8 NADLevodione reductase / 0.724
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.723
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.721
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.721
4u7w NDPMxaA / 0.721
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.719
1xkq NDPUncharacterized protein / 0.718
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.718
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.717
3lqf NADGalactitol dehydrogenase / 0.717
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.716
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.715
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.714
3ko8 NADNAD-dependent epimerase/dehydratase / 0.714
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.713
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.712
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.711
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.711
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.710
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.710
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.710
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.709
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.708
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.706
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.705
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.705
4egb NADdTDP-glucose 4,6-dehydratase / 0.705
4hxy NDPPlm1 / 0.705
5lc1 NADL-threonine 3-dehydrogenase / 0.705
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.704
3u4c NDPNADPH-dependent reductase BacG / 0.704
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.702
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.702
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.701
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.701
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.700
3a4v NADNDP-sugar epimerase / 0.700
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.699
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.698
3wmx NADNAD dependent epimerase/dehydratase / 0.698
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.697
1g1a NADdTDP-glucose 4,6-dehydratase / 0.697
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.697
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.696
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.696
2ewm NAD(S)-1-Phenylethanol dehydrogenase 1.1.1.311 0.695
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.695
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.695
4o1m NADEnoyl-acyl carrier reductase / 0.694
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.691
3orf NADDihydropteridine reductase 1.5.1.34 0.691
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.690
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.689
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.686
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.685
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.685
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.684
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.683
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.683
3a9w NADNDP-sugar epimerase / 0.682
3mje NDPAmphB / 0.682
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.681
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.681
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.680
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.680
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.680
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.679
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.679
2fkn NADUrocanate hydratase 4.2.1.49 0.678
3ajr NADNDP-sugar epimerase / 0.677
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.676
2vou FAD2,6-dihydroxypyridine 3-monooxygenase 1.14.13.10 0.676
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.674
4n5n NAPAcetoacetyl-CoA reductase 1.1.1.36 0.674
3a1n NADNDP-sugar epimerase / 0.673
4idg NADPutative UDP-glucose 4-epimerase / 0.673
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.671
1rpn NDPGDP-mannose 4,6-dehydratase / 0.671
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.670
3f1k NAPUncharacterized oxidoreductase YciK 1 0.667
2q3e NAIUDP-glucose 6-dehydrogenase 1.1.1.22 0.666
4kvz SAHPtnL protein / 0.666
3bmo NAPPteridine reductase / 0.665
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.664
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.664
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.659
1wy7 SAHUncharacterized protein / 0.659
2rcy NAPPyrroline-5-carboxylate reductase / 0.659
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.659
4m55 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.659
2bgl NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.658
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.657
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.657
3hwr NDP2-dehydropantoate 2-reductase / 0.657
1uay ADNOxidoreductase / 0.656
4imp NDPPolyketide synthase extender modules 3-4 / 0.656
2i9p NAD3-hydroxyisobutyrate dehydrogenase, mitochondrial 1.1.1.31 0.655
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.653
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.653
3h3j NADL-lactate dehydrogenase 1 1.1.1.27 0.652
2bfo NDPPteridine reductase 1 1.5.1.33 0.651
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.651
4eso NAPPutative oxidoreductase / 0.651
1orr NADCDP-paratose 2-epimerase / 0.650
1qr6 NADNAD-dependent malic enzyme, mitochondrial 1.1.1.38 0.650
2z1m NDPGDP-mannose 4,6-dehydratase / 0.650