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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
4is3 NAD 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 1.258
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.948
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.936
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.933
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.920
1x7h NDPPutative ketoacyl reductase 1.3.1 0.918
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.905
3o26 NDPSalutaridine reductase / 0.900
3s55 NADPutative short-chain dehydrogenase/reductase / 0.900
3wds NADNADH-dependent quinuclidinone reductase / 0.898
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.892
3tsc NADUncharacterized protein / 0.888
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.888
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.886
4b79 NADProbable short-chain dehydrogenase / 0.882
4bmv NAPShort-chain dehydrogenase / 0.882
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.878
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.878
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.875
3sx2 NADUncharacterized protein / 0.873
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.868
4dbz NDPPutative ketoacyl reductase 1.3.1 0.864
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.863
4hwk NAPSepiapterin reductase 1.1.1.153 0.862
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.860
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.859
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.859
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.857
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.855
3ak4 NADNADH-dependent quinuclidinone reductase / 0.854
4j7u NAPSepiapterin reductase 1.1.1.153 0.852
4kwh NAPReductase homolog / 0.850
3sju NDPKeto reductase / 0.849
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.844
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.842
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.841
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.841
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.839
3d3w NAPL-xylulose reductase 1.1.1.10 0.838
1x7g NAPPutative ketoacyl reductase 1.3.1 0.836
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.835
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.835
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.834
1pr9 NAPL-xylulose reductase 1.1.1.10 0.832
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.832
4j7x NAPSepiapterin reductase 1.1.1.153 0.828
3ai2 NDPNADPH-sorbose reductase / 0.826
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.825
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.824
3tn7 NJPShort-chain alcohol dehydrogenase / 0.824
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.822
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.818
3qrw NDPPutative ketoacyl reductase 1.3.1 0.814
1oaa NAPSepiapterin reductase 1.1.1.153 0.812
5jla NADPutative short-chain dehydrogenase/reductase / 0.812
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.811
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.810
2wdz NADGalactitol dehydrogenase / 0.809
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.808
3geg NADShort-chain dehydrogenase/reductase SDR / 0.805
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.805
3ai3 NDPNADPH-sorbose reductase / 0.804
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.804
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.803
4wec NADShort chain dehydrogenase / 0.803
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.801
2jah NDPClavaldehyde dehydrogenase / 0.799
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.798
1ipe NDPTropinone reductase 2 1.1.1.236 0.797
4fn4 NADShort chain dehydrogenase / 0.796
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.795
2c29 NAPDihydroflavonol 4-reductase / 0.794
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.794
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.792
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.792
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.791
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.791
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.790
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.790
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.789
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.788
3r3s NADPutative oxidoreductase / 0.788
1ae1 NAPTropinone reductase 1 / 0.787
1sny NAPLD36273p / 0.782
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.782
2p5y NADUDP-glucose 4-epimerase / 0.782
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.782
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.782
2wsb NADGalactitol dehydrogenase / 0.781
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.781
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.780
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.780
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.780
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.777
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.777
3p19 NDPPutative blue fluorescent protein / 0.777
1w4z NAPPutative ketoacyl reductase 1.3.1 0.774
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.772
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.770
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.768
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.767
5jyd NADShort chain dehydrogenase / 0.766
2bd0 NAPSepiapterin reductase / 0.765
4qed NAPElxO / 0.764
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.762
3uce NDPDehydrogenase / 0.762
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.758
4yag NAIC alpha-dehydrogenase / 0.758
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.757
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.757
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.756
1xkq NDPUncharacterized protein / 0.756
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.756
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.756
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.755
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.754
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.754
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.753
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.752
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.751
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.751
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.750
4qec NAPElxO / 0.750
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.749
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.748
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.746
2dte NAIGlucose 1-dehydrogenase related protein / 0.744
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.743
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.740
4yai NAIC alpha-dehydrogenase / 0.740
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.739
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.739
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.739
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.739
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.739
3icp NADNAD-dependent epimerase/dehydratase / 0.737
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.737
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.736
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.736
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.735
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.735
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.734
1zem NADXylitol dehydrogenase / 0.733
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.733
4clo NAPPteridine reductase / 0.731
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.730
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.730
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.730
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.729
4eso NAPPutative oxidoreductase / 0.728
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.727
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.727
3l77 NJPShort-chain alcohol dehydrogenase / 0.726
3orf NADDihydropteridine reductase 1.5.1.34 0.726
5lc1 NADL-threonine 3-dehydrogenase / 0.726
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.725
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.724
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.724
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.723
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.721
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.720
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.720
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.719
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.719
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.719
1sby NADAlcohol dehydrogenase 1.1.1.1 0.718
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.718
4idg NADPutative UDP-glucose 4-epimerase / 0.717
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.716
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.716
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.716
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.714
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.712
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.709
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.708
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.707
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.706
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.706
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.706
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.703
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.702
1iy8 NADLevodione reductase / 0.702
2yy7 NADL-threonine dehydrogenase / 0.702
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.702
2yut NAPPutative short-chain oxidoreductase / 0.701
3ko8 NADNAD-dependent epimerase/dehydratase / 0.700
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.700
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.699
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.699
5d2e NAPMlnE / 0.699
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.697
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.697
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.696
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.695
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.694
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.692
2i3g NAPN-acetyl-gamma-glutamyl-phosphate reductase 1.2.1.38 0.691
1orr NADCDP-paratose 2-epimerase / 0.690
2p5u NADUDP-glucose 4-epimerase / 0.690
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.688
3bmo NAPPteridine reductase / 0.688
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.686
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.686
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.685
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.684
3tox NAPPutative oxidoreductase / 0.684
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.684
2i9p NAD3-hydroxyisobutyrate dehydrogenase, mitochondrial 1.1.1.31 0.683
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.683
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.682
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.681
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.680
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.679
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.678
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.676
2bfo NDPPteridine reductase 1 1.5.1.33 0.675
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.675
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.673
1ek5 NADUDP-glucose 4-epimerase / 0.671
3a4v NADNDP-sugar epimerase / 0.669
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.668
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.667
2nq8 ZIDEnoyl-ACP reductase / 0.667
3aw9 NADNAD-dependent epimerase/dehydratase / 0.667
3t4e NADQuinate/shikimate dehydrogenase / 0.666
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.663
1vrw NAIEnoyl-ACP reductase / 0.663
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.662
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.660
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.660
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.660
2z95 NDPGDP-mannose 4,6-dehydratase / 0.660
4bv9 NDPKetimine reductase mu-crystallin 1.5.1.25 0.658
1dir NADDihydropteridine reductase 1.5.1.34 0.657
1i3l NADUDP-glucose 4-epimerase / 0.657
1n7h GDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.657
5ein NAP[LysW]-L-2-aminoadipate 6-phosphate reductase / 0.657
3lqf NADGalactitol dehydrogenase / 0.656
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.656
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.655
2bgl NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.654
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.654
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.653
3qvs NADMyo-inositol-1-phosphate synthase (Ino1) / 0.653
4yr9 NADL-threonine 3-dehydrogenase, mitochondrial 1.1.1.103 0.653
1dhr NADDihydropteridine reductase 1.5.1.34 0.652
1j5p NADL-aspartate dehydrogenase 1.4.1.21 0.652
1o9j NADAldehyde dehydrogenase, cytosolic 1 1.2.1.3 0.652
1vi2 NADQuinate/shikimate dehydrogenase / 0.651
3qvx NADMyo-inositol-1-phosphate synthase (Ino1) / 0.650