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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
3qrw NDP Putative ketoacyl reductase 1.3.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
3qrw NDPPutative ketoacyl reductase 1.3.1 1.307
4dbz NDPPutative ketoacyl reductase 1.3.1 1.174
4dc0 NDPPutative ketoacyl reductase 1.3.1 1.145
1x7h NDPPutative ketoacyl reductase 1.3.1 1.121
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 1.065
3ai3 NDPNADPH-sorbose reductase / 1.063
1x7g NAPPutative ketoacyl reductase 1.3.1 0.985
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.962
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.956
3ai2 NDPNADPH-sorbose reductase / 0.947
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.934
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.931
2jah NDPClavaldehyde dehydrogenase / 0.927
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.915
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.912
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.909
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.909
3uce NDPDehydrogenase / 0.905
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.903
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.901
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.901
4kwh NAPReductase homolog / 0.899
4fn4 NADShort chain dehydrogenase / 0.897
1ipe NDPTropinone reductase 2 1.1.1.236 0.895
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.895
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.893
3tn7 NJPShort-chain alcohol dehydrogenase / 0.893
3s55 NADPutative short-chain dehydrogenase/reductase / 0.892
3ak4 NADNADH-dependent quinuclidinone reductase / 0.883
3tsc NADUncharacterized protein / 0.882
3wds NADNADH-dependent quinuclidinone reductase / 0.881
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.878
3l77 NJPShort-chain alcohol dehydrogenase / 0.872
3sx2 NADUncharacterized protein / 0.868
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.867
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.866
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.865
3geg NADShort-chain dehydrogenase/reductase SDR / 0.865
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.861
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.860
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.859
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.858
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.856
5jla NADPutative short-chain dehydrogenase/reductase / 0.856
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.853
2bd0 NAPSepiapterin reductase / 0.851
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.848
1ae1 NAPTropinone reductase 1 / 0.844
1w4z NAPPutative ketoacyl reductase 1.3.1 0.842
3p19 NDPPutative blue fluorescent protein / 0.842
4yag NAIC alpha-dehydrogenase / 0.841
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.838
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.836
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.835
3o26 NDPSalutaridine reductase / 0.830
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.828
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.824
4yai NAIC alpha-dehydrogenase / 0.824
3u4c NDPNADPH-dependent reductase BacG / 0.823
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.822
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.822
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.820
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.818
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.817
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.817
4b79 NADProbable short-chain dehydrogenase / 0.815
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.814
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.813
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.812
4wec NADShort chain dehydrogenase / 0.812
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.811
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.810
2dte NAIGlucose 1-dehydrogenase related protein / 0.809
2wsb NADGalactitol dehydrogenase / 0.809
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.808
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.806
3d3w NAPL-xylulose reductase 1.1.1.10 0.806
4bmv NAPShort-chain dehydrogenase / 0.804
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.798
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.796
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.795
1xkq NDPUncharacterized protein / 0.792
3sju NDPKeto reductase / 0.792
1pr9 NAPL-xylulose reductase 1.1.1.10 0.791
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.790
4qec NAPElxO / 0.789
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.784
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.784
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.783
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.782
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.781
4qed NAPElxO / 0.780
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.778
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.777
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.776
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.775
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.774
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.774
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.772
1oaa NAPSepiapterin reductase 1.1.1.153 0.770
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.769
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.767
2c29 NAPDihydroflavonol 4-reductase / 0.767
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.766
4hxy NDPPlm1 / 0.766
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.764
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.763
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.763
3lqf NADGalactitol dehydrogenase / 0.763
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.759
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.757
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.755
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.755
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.753
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.752
1iy8 NADLevodione reductase / 0.750
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.749
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.749
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.748
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.746
4xyb NDPFormate dehydrogenase / 0.746
2wdz NADGalactitol dehydrogenase / 0.745
3baz NAPHydroxyphenylpyruvate reductase 1.1.1.237 0.743
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.741
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.740
4j7u NAPSepiapterin reductase 1.1.1.153 0.740
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.730
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.729
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.729
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.728
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.728
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.727
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.725
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.725
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.725
4j7x NAPSepiapterin reductase 1.1.1.153 0.725
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.723
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.723
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.723
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.723
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.723
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.722
3r3s NADPutative oxidoreductase / 0.720
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.719
3mje NDPAmphB / 0.718
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.718
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.717
1zem NADXylitol dehydrogenase / 0.714
3orf NADDihydropteridine reductase 1.5.1.34 0.714
5jyd NADShort chain dehydrogenase / 0.714
3tox NAPPutative oxidoreductase / 0.713
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.712
5d2e NAPMlnE / 0.712
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.709
4eso NAPPutative oxidoreductase / 0.707
1sby NADAlcohol dehydrogenase 1.1.1.1 0.705
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.705
2p5y NADUDP-glucose 4-epimerase / 0.703
4imp NDPPolyketide synthase extender modules 3-4 / 0.702
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.701
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.699
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.699
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.699
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.698
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.698
2p5u NADUDP-glucose 4-epimerase / 0.697
2yut NAPPutative short-chain oxidoreductase / 0.695
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.695
3a4v NADNDP-sugar epimerase / 0.694
4yac NAIC alpha-dehydrogenase / 0.694
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.693
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.693
3a9w NADNDP-sugar epimerase / 0.692
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.691
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.691
4hwk NAPSepiapterin reductase 1.1.1.153 0.691
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.690
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.689
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.688
2rcy NAPPyrroline-5-carboxylate reductase / 0.688
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.688
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.687
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.686
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.685
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.685
3wmx NADNAD dependent epimerase/dehydratase / 0.683
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.682
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.680
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.679
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.678
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.678
1ek5 NADUDP-glucose 4-epimerase / 0.677
1i3l NADUDP-glucose 4-epimerase / 0.677
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.677
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.677
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.677
3icp NADNAD-dependent epimerase/dehydratase / 0.677
1e7y NDPGlucose-6-phosphate 1-dehydrogenase / 0.676
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.673
1g1a NADdTDP-glucose 4,6-dehydratase / 0.672
3bmo NAPPteridine reductase / 0.672
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
4u7w NDPMxaA / 0.672
1hdo NAPFlavin reductase (NADPH) / 0.671
1orr NADCDP-paratose 2-epimerase / 0.671
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.670
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.669
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.669
3f1k NAPUncharacterized oxidoreductase YciK 1 0.669
4egb NADdTDP-glucose 4,6-dehydratase / 0.669
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.668
1i36 NAPConserved protein / 0.667
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.667
5hws NAP2-dehydropantoate 2-reductase / 0.667
4b4o NDPEpimerase family protein SDR39U1 / 0.666
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.666
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.665
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.664
5lc1 NADL-threonine 3-dehydrogenase / 0.664
2c20 NADUDP-glucose 4-epimerase / 0.662
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.662
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.662
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.661
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.661
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.659
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.658
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.658
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.657
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.656
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.656
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.656
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.655
1zha PEP2-dehydro-3-deoxyphosphooctonate aldolase 2.5.1.55 0.654
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.654
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.654
3qvx NADMyo-inositol-1-phosphate synthase (Ino1) / 0.653
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.653
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.651
3a1n NADNDP-sugar epimerase / 0.650
4o1m NADEnoyl-acyl carrier reductase / 0.650