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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
2aqi NAI Enoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.227
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.161
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.159
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.129
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.077
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.076
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.038
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.018
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.014
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.012
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.012
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 1.009
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.987
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.986
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.957
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.957
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.929
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.919
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.913
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.908
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.892
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.888
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.886
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.876
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.865
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.860
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.856
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.841
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.835
2pr2 DG1Enoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.820
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.806
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.791
4qxm NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.783
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.769
1vrw NAIEnoyl-ACP reductase / 0.768
1zid ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.766
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.759
3s55 NADPutative short-chain dehydrogenase/reductase / 0.754
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.754
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.753
3p19 NDPPutative blue fluorescent protein / 0.749
2p5y NADUDP-glucose 4-epimerase / 0.746
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.745
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.742
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.741
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.738
4o1m NADEnoyl-acyl carrier reductase / 0.737
2b36 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.735
3r3s NADPutative oxidoreductase / 0.735
2yut NAPPutative short-chain oxidoreductase / 0.734
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.732
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.732
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.730
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.730
1sny NAPLD36273p / 0.729
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.729
4b79 NADProbable short-chain dehydrogenase / 0.728
4yag NAIC alpha-dehydrogenase / 0.728
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.726
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.723
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.723
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.721
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.720
5jyd NADShort chain dehydrogenase / 0.719
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.718
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.714
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.712
4yai NAIC alpha-dehydrogenase / 0.712
4kwh NAPReductase homolog / 0.711
2dte NAIGlucose 1-dehydrogenase related protein / 0.710
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.705
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.704
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.703
2nq8 ZIDEnoyl-ACP reductase / 0.702
3ak4 NADNADH-dependent quinuclidinone reductase / 0.701
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.701
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.701
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.700
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.699
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.698
5d2e NAPMlnE / 0.696
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.694
1enp NADEnoyl-[acyl-carrier-protein] reductase [NADH], chloroplastic 1.3.1.9 0.693
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.692
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.692
2wsb NADGalactitol dehydrogenase / 0.692
1v35 NAIEnoyl-ACP reductase / 0.691
3ai3 NDPNADPH-sorbose reductase / 0.691
3tsc NADUncharacterized protein / 0.690
4clo NAPPteridine reductase / 0.689
4bmv NAPShort-chain dehydrogenase / 0.685
2jah NDPClavaldehyde dehydrogenase / 0.684
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.684
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.684
1ae1 NAPTropinone reductase 1 / 0.683
1orr NADCDP-paratose 2-epimerase / 0.683
1pr9 NAPL-xylulose reductase 1.1.1.10 0.683
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.683
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.683
4fn4 NADShort chain dehydrogenase / 0.683
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.683
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.682
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.682
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.681
1sby NADAlcohol dehydrogenase 1.1.1.1 0.680
3wds NADNADH-dependent quinuclidinone reductase / 0.680
3qrw NDPPutative ketoacyl reductase 1.3.1 0.678
4wec NADShort chain dehydrogenase / 0.678
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.677
3uce NDPDehydrogenase / 0.677
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.676
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.675
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.675
4qed NAPElxO / 0.674
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.673
3mje NDPAmphB / 0.672
1bvr NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.670
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.670
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.670
3icp NADNAD-dependent epimerase/dehydratase / 0.669
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.668
1x7h NDPPutative ketoacyl reductase 1.3.1 0.666
3geg NADShort-chain dehydrogenase/reductase SDR / 0.666
1oaa NAPSepiapterin reductase 1.1.1.153 0.665
3o26 NDPSalutaridine reductase / 0.665
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.663
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.663
1zem NADXylitol dehydrogenase / 0.662
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.662
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.662
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.662
2yy7 NADL-threonine dehydrogenase / 0.661
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.660
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.660
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.660
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.659
4i9b NADPutative betaine aldehyde dehyrogenase / 0.659
4qec NAPElxO / 0.659
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.658
1w4z NAPPutative ketoacyl reductase 1.3.1 0.658
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.658
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.658
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.657
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.657
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.657
3sx2 NADUncharacterized protein / 0.657
4bkq NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.657
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.657
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.656
1xkq NDPUncharacterized protein / 0.656
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.656
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.655
4yr9 NADL-threonine 3-dehydrogenase, mitochondrial 1.1.1.103 0.655
3d3w NAPL-xylulose reductase 1.1.1.10 0.654
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.654
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.654
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.653
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.653
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.653
3orf NADDihydropteridine reductase 1.5.1.34 0.653
1x7g NAPPutative ketoacyl reductase 1.3.1 0.652
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.652
3rhr NDPCytosolic 10-formyltetrahydrofolate dehydrogenase 1.5.1.6 0.652
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.652
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.652
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.652
1wvg APRCDP-glucose 4,6-dehydratase 4.2.1.45 0.651
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.651
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.651
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.650
3k31 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.650