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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
4o0l NDP NADPH-dependent 3-quinuclidinone reductase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 1.338
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.905
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.892
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.888
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.878
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.869
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.868
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.867
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.864
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.858
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.855
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.846
3tn7 NJPShort-chain alcohol dehydrogenase / 0.845
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.842
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.842
2c29 NAPDihydroflavonol 4-reductase / 0.840
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.839
3qrw NDPPutative ketoacyl reductase 1.3.1 0.838
4fn4 NADShort chain dehydrogenase / 0.832
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.829
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.828
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.828
3sx2 NADUncharacterized protein / 0.827
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.824
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.823
3tsc NADUncharacterized protein / 0.820
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.820
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.819
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.817
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.815
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.815
3r3s NADPutative oxidoreductase / 0.814
4b79 NADProbable short-chain dehydrogenase / 0.814
3ak4 NADNADH-dependent quinuclidinone reductase / 0.813
1iy8 NADLevodione reductase / 0.810
1x7g NAPPutative ketoacyl reductase 1.3.1 0.808
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.808
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.808
1w4z NAPPutative ketoacyl reductase 1.3.1 0.807
3sju NDPKeto reductase / 0.807
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.805
3s55 NADPutative short-chain dehydrogenase/reductase / 0.804
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.803
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.802
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.799
4bmv NAPShort-chain dehydrogenase / 0.799
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.798
3o26 NDPSalutaridine reductase / 0.798
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.796
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.794
4wec NADShort chain dehydrogenase / 0.794
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.792
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.790
3p19 NDPPutative blue fluorescent protein / 0.787
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.786
1x7h NDPPutative ketoacyl reductase 1.3.1 0.785
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.782
5jla NADPutative short-chain dehydrogenase/reductase / 0.781
1zem NADXylitol dehydrogenase / 0.779
4yag NAIC alpha-dehydrogenase / 0.779
3l77 NJPShort-chain alcohol dehydrogenase / 0.777
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.776
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.776
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.775
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.774
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.771
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.768
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.766
2wsb NADGalactitol dehydrogenase / 0.764
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.762
1pr9 NAPL-xylulose reductase 1.1.1.10 0.762
2jah NDPClavaldehyde dehydrogenase / 0.762
2wdz NADGalactitol dehydrogenase / 0.762
3ai3 NDPNADPH-sorbose reductase / 0.762
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.762
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.762
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.762
4yai NAIC alpha-dehydrogenase / 0.762
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.760
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.759
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.758
4qed NAPElxO / 0.757
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.757
4hxy NDPPlm1 / 0.756
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.755
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.754
1xkq NDPUncharacterized protein / 0.751
5jyd NADShort chain dehydrogenase / 0.751
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.749
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.747
4qec NAPElxO / 0.747
1ae1 NAPTropinone reductase 1 / 0.746
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.746
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.746
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.745
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.742
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.742
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.741
1sny NAPLD36273p / 0.741
3tox NAPPutative oxidoreductase / 0.740
3mje NDPAmphB / 0.739
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.738
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.736
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.735
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.733
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.732
1sby NADAlcohol dehydrogenase 1.1.1.1 0.731
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.730
2bd0 NAPSepiapterin reductase / 0.728
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.728
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.727
1orr NADCDP-paratose 2-epimerase / 0.726
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.726
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.726
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.726
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.726
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.725
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.725
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.724
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.724
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.724
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.722
3geg NADShort-chain dehydrogenase/reductase SDR / 0.722
4j7x NAPSepiapterin reductase 1.1.1.153 0.721
1ipe NDPTropinone reductase 2 1.1.1.236 0.720
2p5y NADUDP-glucose 4-epimerase / 0.720
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.719
1oaa NAPSepiapterin reductase 1.1.1.153 0.718
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.718
3bmo NAPPteridine reductase / 0.716
2yut NAPPutative short-chain oxidoreductase / 0.715
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.713
5d2e NAPMlnE / 0.713
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.712
3ko8 NADNAD-dependent epimerase/dehydratase / 0.712
4clo NAPPteridine reductase / 0.711
1hdo NAPFlavin reductase (NADPH) / 0.710
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.709
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.709
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.705
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.704
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.704
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.704
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.701
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.700
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.700
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.700
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.697
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.696
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.696
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.696
3icp NADNAD-dependent epimerase/dehydratase / 0.696
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.696
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.696
1ek5 NADUDP-glucose 4-epimerase / 0.695
4u7w NDPMxaA / 0.695
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.694
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.694
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.694
3d3w NAPL-xylulose reductase 1.1.1.10 0.693
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.693
4dbz NDPPutative ketoacyl reductase 1.3.1 0.693
3aw9 NADNAD-dependent epimerase/dehydratase / 0.692
1i3l NADUDP-glucose 4-epimerase / 0.691
1wvg APRCDP-glucose 4,6-dehydratase 4.2.1.45 0.691
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.691
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.689
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.688
4imp NDPPolyketide synthase extender modules 3-4 / 0.687
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.686
3uce NDPDehydrogenase / 0.686
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.685
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.683
1kc1 NDPdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.681
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.681
2yy7 NADL-threonine dehydrogenase / 0.679
2dte NAIGlucose 1-dehydrogenase related protein / 0.677
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.677
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.677
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.677
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.677
3h4v NAPPteridine reductase 1 1.5.1.33 0.676
4o1m NADEnoyl-acyl carrier reductase / 0.676
3wds NADNADH-dependent quinuclidinone reductase / 0.675
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.675
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.674
2z1m NDPGDP-mannose 4,6-dehydratase / 0.673
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.673
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.672
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.672
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.670
3orf NADDihydropteridine reductase 1.5.1.34 0.670
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.669
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.669
3ulk NDPKetol-acid reductoisomerase (NADP(+)) / 0.668
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.668
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.667
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.667
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.667
4egb NADdTDP-glucose 4,6-dehydratase / 0.667
3f1k NAPUncharacterized oxidoreductase YciK 1 0.666
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.665
3a1n NADNDP-sugar epimerase / 0.665
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.665
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.663
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.663
4b4o NDPEpimerase family protein SDR39U1 / 0.662
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.662
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.661
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.661
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.661
2jl1 NAPTriphenylmethane reductase / 0.660
4jbi NDPAlcohol dehydrogenase (Zinc) / 0.660
4idg NADPutative UDP-glucose 4-epimerase / 0.659
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.658
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.658
4cr8 NADN-acylmannosamine 1-dehydrogenase 1.1.1.233 0.658
2gcg NDPGlyoxylate reductase/hydroxypyruvate reductase 1.1.1.79 0.657
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.657
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.657
3two NDPMannitol dehydrogenase / 0.656
4xyb NDPFormate dehydrogenase / 0.656
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.656
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.655
1fxs NAPGDP-L-fucose synthase / 0.655
1hyh NADL-2-hydroxyisocaproate dehydrogenase / 0.655
1rpn NDPGDP-mannose 4,6-dehydratase / 0.655
4ros APRMalate dehydrogenase / 0.655
5ijz NAPNADP-specific glutamate dehydrogenase 1.4.1.4 0.655
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.654
2c20 NADUDP-glucose 4-epimerase / 0.653
2ixa NADAlpha-N-acetylgalactosaminidase 3.2.1.49 0.652
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.652
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.652
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.650
3aw9 GDUNAD-dependent epimerase/dehydratase / 0.650
3d4p NADL-lactate dehydrogenase 1 1.1.1.27 0.650