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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
1gco NAD Glucose 1-dehydrogenase 1.1.1.47

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
1gco NADGlucose 1-dehydrogenase 1.1.1.47 1.119
1gee NADGlucose 1-dehydrogenase 1.1.1.47 1.117
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 1.002
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.992
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.940
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.877
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.876
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.869
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.864
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.856
3wds NADNADH-dependent quinuclidinone reductase / 0.853
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.847
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.843
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.840
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.840
4b79 NADProbable short-chain dehydrogenase / 0.838
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.835
1x7g NAPPutative ketoacyl reductase 1.3.1 0.833
1zem NADXylitol dehydrogenase / 0.822
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.822
3ak4 NADNADH-dependent quinuclidinone reductase / 0.819
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.817
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.816
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.815
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.813
4qec NAPElxO / 0.806
1sny NAPLD36273p / 0.803
4dbz NDPPutative ketoacyl reductase 1.3.1 0.803
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.801
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.800
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.800
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.799
1x7h NDPPutative ketoacyl reductase 1.3.1 0.798
3o26 NDPSalutaridine reductase / 0.797
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.797
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.796
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.796
2c29 NAPDihydroflavonol 4-reductase / 0.794
4kwh NAPReductase homolog / 0.791
1ipe NDPTropinone reductase 2 1.1.1.236 0.788
2dte NAIGlucose 1-dehydrogenase related protein / 0.788
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.788
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.788
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.786
2wsb NADGalactitol dehydrogenase / 0.786
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.786
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.786
4wec NADShort chain dehydrogenase / 0.786
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.786
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.785
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.784
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.784
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.780
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.779
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.778
4hwk NAPSepiapterin reductase 1.1.1.153 0.778
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.778
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.777
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.776
4j7x NAPSepiapterin reductase 1.1.1.153 0.776
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.775
3qrw NDPPutative ketoacyl reductase 1.3.1 0.775
4j7u NAPSepiapterin reductase 1.1.1.153 0.775
3ai2 NDPNADPH-sorbose reductase / 0.774
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.774
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.774
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.772
4qed NAPElxO / 0.770
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.769
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.769
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.767
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.766
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.765
2p5y NADUDP-glucose 4-epimerase / 0.764
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.764
3sju NDPKeto reductase / 0.763
2jah NDPClavaldehyde dehydrogenase / 0.762
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.762
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.762
3p19 NDPPutative blue fluorescent protein / 0.761
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.759
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.759
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.758
3ai3 NDPNADPH-sorbose reductase / 0.758
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.757
4fn4 NADShort chain dehydrogenase / 0.756
1ae1 NAPTropinone reductase 1 / 0.755
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.755
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.755
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.754
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.754
4bmv NAPShort-chain dehydrogenase / 0.752
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.751
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.750
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.750
3aw9 NADNAD-dependent epimerase/dehydratase / 0.749
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.749
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.748
2wdz NADGalactitol dehydrogenase / 0.748
3h4v NAPPteridine reductase 1 1.5.1.33 0.748
3tn7 NJPShort-chain alcohol dehydrogenase / 0.748
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.748
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.747
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.747
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.746
1i3l NADUDP-glucose 4-epimerase / 0.745
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.745
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.745
4yai NAIC alpha-dehydrogenase / 0.745
2bfo NDPPteridine reductase 1 1.5.1.33 0.743
3l77 NJPShort-chain alcohol dehydrogenase / 0.742
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.742
4hxy NDPPlm1 / 0.742
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.741
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.741
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.741
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.740
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.740
1sby NADAlcohol dehydrogenase 1.1.1.1 0.739
3icp NADNAD-dependent epimerase/dehydratase / 0.739
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.739
1xkq NDPUncharacterized protein / 0.736
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.736
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.735
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.735
4idg NADPutative UDP-glucose 4-epimerase / 0.734
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.733
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.732
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.731
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.729
4clo NAPPteridine reductase / 0.729
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.727
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.726
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.725
2yy7 NADL-threonine dehydrogenase / 0.725
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.725
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.724
5jyd NADShort chain dehydrogenase / 0.724
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.723
3d3w NAPL-xylulose reductase 1.1.1.10 0.723
3ko8 NADNAD-dependent epimerase/dehydratase / 0.723
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.722
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.720
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.720
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.719
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.719
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.719
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.719
1rpn NDPGDP-mannose 4,6-dehydratase / 0.717
3mje NDPAmphB / 0.717
3uce NDPDehydrogenase / 0.717
5jla NADPutative short-chain dehydrogenase/reductase / 0.716
3geg NADShort-chain dehydrogenase/reductase SDR / 0.715
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.715
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.714
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.712
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.712
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.712
3r3s NADPutative oxidoreductase / 0.711
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.710
3s55 NADPutative short-chain dehydrogenase/reductase / 0.710
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.710
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.709
1w4z NAPPutative ketoacyl reductase 1.3.1 0.708
5d2e NAPMlnE / 0.708
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.707
1orr NADCDP-paratose 2-epimerase / 0.706
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.706
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.705
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.704
4egb NADdTDP-glucose 4,6-dehydratase / 0.703
2p5u NADUDP-glucose 4-epimerase / 0.702
3ajr NADNDP-sugar epimerase / 0.702
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.702
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.701
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.700
1g1a NADdTDP-glucose 4,6-dehydratase / 0.699
3tsc NADUncharacterized protein / 0.699
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.698
3orf NADDihydropteridine reductase 1.5.1.34 0.698
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.697
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.697
4yag NAIC alpha-dehydrogenase / 0.697
1iy8 NADLevodione reductase / 0.696
3u4c NDPNADPH-dependent reductase BacG / 0.696
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.695
3bmo NAPPteridine reductase / 0.695
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.694
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.694
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.694
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.694
2yut NAPPutative short-chain oxidoreductase / 0.693
3a9w NADNDP-sugar epimerase / 0.692
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.692
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.692
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.692
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.691
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.691
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.690
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.689
3tox NAPPutative oxidoreductase / 0.687
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.687
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.684
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.684
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.682
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.681
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.681
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.680
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.678
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.678
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.677
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.676
2bd0 NAPSepiapterin reductase / 0.676
3wfj NAD2-dehydropantoate 2-reductase / 0.676
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.675
3f1k NAPUncharacterized oxidoreductase YciK 1 0.675
3wmx NADNAD dependent epimerase/dehydratase / 0.674
4o1m NADEnoyl-acyl carrier reductase / 0.674
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.672
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.672
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.671
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.671
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.670
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.669
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.668
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.668
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.667
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.666
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.666
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.665
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.665
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.664
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.663
4eso NAPPutative oxidoreductase / 0.660
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
4xgi NADGlutamate dehydrogenase / 0.659
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.658
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.658
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.656
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.653
2pr2 DG1Enoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.651
1kc1 NDPdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.650