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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
1rwb NAD Glucose 1-dehydrogenase 1.1.1.47

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 1.195
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.992
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.992
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.906
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.904
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.894
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.866
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.862
3ak4 NADNADH-dependent quinuclidinone reductase / 0.859
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.851
3wds NADNADH-dependent quinuclidinone reductase / 0.847
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.843
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.840
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.838
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.831
4dbz NDPPutative ketoacyl reductase 1.3.1 0.827
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.827
1x7g NAPPutative ketoacyl reductase 1.3.1 0.825
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.825
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.821
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.820
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.819
3bmo NAPPteridine reductase / 0.815
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.814
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.810
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.810
4j7x NAPSepiapterin reductase 1.1.1.153 0.810
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.809
4hwk NAPSepiapterin reductase 1.1.1.153 0.809
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.807
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.807
2wdz NADGalactitol dehydrogenase / 0.806
2dte NAIGlucose 1-dehydrogenase related protein / 0.801
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.801
4b79 NADProbable short-chain dehydrogenase / 0.801
1x7h NDPPutative ketoacyl reductase 1.3.1 0.797
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.797
2bfo NDPPteridine reductase 1 1.5.1.33 0.796
3d3w NAPL-xylulose reductase 1.1.1.10 0.796
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.796
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.794
4kwh NAPReductase homolog / 0.794
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.793
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.791
4wec NADShort chain dehydrogenase / 0.790
2c29 NAPDihydroflavonol 4-reductase / 0.789
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.788
3o26 NDPSalutaridine reductase / 0.787
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.787
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.786
4j7u NAPSepiapterin reductase 1.1.1.153 0.785
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.783
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.782
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.782
1zem NADXylitol dehydrogenase / 0.781
3geg NADShort-chain dehydrogenase/reductase SDR / 0.778
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.777
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.776
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.774
4idg NADPutative UDP-glucose 4-epimerase / 0.773
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.772
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.772
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.771
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.769
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.769
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.768
1pr9 NAPL-xylulose reductase 1.1.1.10 0.767
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.767
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.765
2wsb NADGalactitol dehydrogenase / 0.763
1oaa NAPSepiapterin reductase 1.1.1.153 0.762
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.762
1sny NAPLD36273p / 0.761
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.761
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.761
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.760
3s55 NADPutative short-chain dehydrogenase/reductase / 0.760
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.758
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.758
4fn4 NADShort chain dehydrogenase / 0.756
3qrw NDPPutative ketoacyl reductase 1.3.1 0.755
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.754
4yai NAIC alpha-dehydrogenase / 0.754
1ae1 NAPTropinone reductase 1 / 0.753
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.753
3h4v NAPPteridine reductase 1 1.5.1.33 0.753
3p19 NDPPutative blue fluorescent protein / 0.753
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.753
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.753
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.752
3ai3 NDPNADPH-sorbose reductase / 0.752
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.752
1ipe NDPTropinone reductase 2 1.1.1.236 0.751
3sju NDPKeto reductase / 0.751
4qec NAPElxO / 0.751
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.751
4yag NAIC alpha-dehydrogenase / 0.750
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.749
4clo NAPPteridine reductase / 0.749
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.749
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.746
5jyd NADShort chain dehydrogenase / 0.745
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.743
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.743
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.742
2bd0 NAPSepiapterin reductase / 0.742
3ai2 NDPNADPH-sorbose reductase / 0.741
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.741
5jla NADPutative short-chain dehydrogenase/reductase / 0.741
4u7w NDPMxaA / 0.740
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.739
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.738
5lc1 NADL-threonine 3-dehydrogenase / 0.738
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.737
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.736
3a9w NADNDP-sugar epimerase / 0.735
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.735
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.734
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.734
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.731
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.730
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.730
1iy8 NADLevodione reductase / 0.729
3aw9 NADNAD-dependent epimerase/dehydratase / 0.729
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.728
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.727
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.727
3ko8 NADNAD-dependent epimerase/dehydratase / 0.726
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.725
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.725
3r3s NADPutative oxidoreductase / 0.725
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.724
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.723
2yut NAPPutative short-chain oxidoreductase / 0.722
3uce NDPDehydrogenase / 0.722
3wmx NADNAD dependent epimerase/dehydratase / 0.722
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.721
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.721
5d2e NAPMlnE / 0.721
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.720
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.720
1orr NADCDP-paratose 2-epimerase / 0.719
4qed NAPElxO / 0.718
1i3l NADUDP-glucose 4-epimerase / 0.717
1xkq NDPUncharacterized protein / 0.717
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.716
1sby NADAlcohol dehydrogenase 1.1.1.1 0.716
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.716
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.716
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.715
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.715
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.714
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.714
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.714
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.713
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.711
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.711
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.711
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.709
3orf NADDihydropteridine reductase 1.5.1.34 0.708
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.708
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.707
3a4v NADNDP-sugar epimerase / 0.707
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.706
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.706
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.705
1w4z NAPPutative ketoacyl reductase 1.3.1 0.704
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.704
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.704
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.704
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.704
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.703
3mje NDPAmphB / 0.703
3tsc NADUncharacterized protein / 0.703
2yy7 NADL-threonine dehydrogenase / 0.700
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.700
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.699
4egb NADdTDP-glucose 4,6-dehydratase / 0.699
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.699
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.698
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.697
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.697
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.697
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.694
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.693
4o1m NADEnoyl-acyl carrier reductase / 0.693
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.692
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.692
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.691
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.691
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.691
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.688
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.688
4bmv NAPShort-chain dehydrogenase / 0.687
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.686
2p5y NADUDP-glucose 4-epimerase / 0.686
2z1m NDPGDP-mannose 4,6-dehydratase / 0.686
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.686
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.686
1g1a NADdTDP-glucose 4,6-dehydratase / 0.685
2nq8 ZIDEnoyl-ACP reductase / 0.684
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.684
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.683
4eso NAPPutative oxidoreductase / 0.682
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.681
2jah NDPClavaldehyde dehydrogenase / 0.681
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.681
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.680
3f1k NAPUncharacterized oxidoreductase YciK 1 0.679
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.679
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.678
3ajr NADNDP-sugar epimerase / 0.677
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.674
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.674
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.674
4hxy NDPPlm1 / 0.674
1rpn NDPGDP-mannose 4,6-dehydratase / 0.673
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
2c20 NADUDP-glucose 4-epimerase / 0.672
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
2pr2 DG1Enoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.671
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.670
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.669
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.668
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.668
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.667
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.667
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.665
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.663
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.663
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.663
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.662
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.660
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
2z95 NDPGDP-mannose 4,6-dehydratase / 0.659
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.658
1vrw NAIEnoyl-ACP reductase / 0.657
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.657
2p5u NADUDP-glucose 4-epimerase / 0.656
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.656
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.654
3icp NADNAD-dependent epimerase/dehydratase / 0.654
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.653
3sx2 NADUncharacterized protein / 0.653
3u4c NDPNADPH-dependent reductase BacG / 0.652
4yr9 NADL-threonine 3-dehydrogenase, mitochondrial 1.1.1.103 0.652
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.651
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.651
1v35 NAIEnoyl-ACP reductase / 0.650
2a94 AP0L-lactate dehydrogenase 1.1.1.27 0.650
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.650
2jkv NAP6-phosphogluconate dehydrogenase, decarboxylating 1.1.1.44 0.650
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.650
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.650