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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
4dbz NDP Putative ketoacyl reductase 1.3.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4dbz NDPPutative ketoacyl reductase 1.3.1 1.373
4dc0 NDPPutative ketoacyl reductase 1.3.1 1.279
4dc1 NDPPutative ketoacyl reductase 1.3.1 1.217
1x7h NDPPutative ketoacyl reductase 1.3.1 1.203
3qrw NDPPutative ketoacyl reductase 1.3.1 1.174
1w4z NAPPutative ketoacyl reductase 1.3.1 1.068
3ai2 NDPNADPH-sorbose reductase / 1.032
1x7g NAPPutative ketoacyl reductase 1.3.1 0.990
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.971
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.971
3wds NADNADH-dependent quinuclidinone reductase / 0.942
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.941
1ipe NDPTropinone reductase 2 1.1.1.236 0.940
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.935
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.931
3sju NDPKeto reductase / 0.928
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.926
4kwh NAPReductase homolog / 0.926
5jla NADPutative short-chain dehydrogenase/reductase / 0.926
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.924
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.923
1ae1 NAPTropinone reductase 1 / 0.914
3ai3 NDPNADPH-sorbose reductase / 0.913
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.907
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.906
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.903
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.903
4b79 NADProbable short-chain dehydrogenase / 0.903
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.886
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.881
4yai NAIC alpha-dehydrogenase / 0.880
3o26 NDPSalutaridine reductase / 0.874
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.874
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.873
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.873
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.872
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.871
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.870
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.870
4fn4 NADShort chain dehydrogenase / 0.870
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.869
3ak4 NADNADH-dependent quinuclidinone reductase / 0.869
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.864
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.864
4yag NAIC alpha-dehydrogenase / 0.864
2wsb NADGalactitol dehydrogenase / 0.858
2dte NAIGlucose 1-dehydrogenase related protein / 0.854
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.849
4bmv NAPShort-chain dehydrogenase / 0.848
4wec NADShort chain dehydrogenase / 0.848
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.846
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.844
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.843
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.842
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.842
4hwk NAPSepiapterin reductase 1.1.1.153 0.842
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.840
1pr9 NAPL-xylulose reductase 1.1.1.10 0.835
3tn7 NJPShort-chain alcohol dehydrogenase / 0.835
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.835
2bd0 NAPSepiapterin reductase / 0.834
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.833
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.833
3d3w NAPL-xylulose reductase 1.1.1.10 0.831
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.831
3uce NDPDehydrogenase / 0.830
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.827
4j7u NAPSepiapterin reductase 1.1.1.153 0.827
3u4c NDPNADPH-dependent reductase BacG / 0.824
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.824
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.823
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.823
3mje NDPAmphB / 0.820
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.820
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.819
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.818
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.816
1iy8 NADLevodione reductase / 0.814
2jah NDPClavaldehyde dehydrogenase / 0.814
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.813
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.810
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.809
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.804
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.803
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.803
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.801
1oaa NAPSepiapterin reductase 1.1.1.153 0.800
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.798
3geg NADShort-chain dehydrogenase/reductase SDR / 0.797
3p19 NDPPutative blue fluorescent protein / 0.797
4j7x NAPSepiapterin reductase 1.1.1.153 0.797
4qed NAPElxO / 0.797
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.796
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.793
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.792
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.790
2c29 NAPDihydroflavonol 4-reductase / 0.789
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.789
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.787
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.786
3tox NAPPutative oxidoreductase / 0.786
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.785
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.785
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.785
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.785
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.782
4imp NDPPolyketide synthase extender modules 3-4 / 0.781
1xkq NDPUncharacterized protein / 0.779
3s55 NADPutative short-chain dehydrogenase/reductase / 0.776
5eio NAP[LysW]-L-2-aminoadipate 6-phosphate reductase / 0.776
3sx2 NADUncharacterized protein / 0.775
3tsc NADUncharacterized protein / 0.772
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.772
5d2e NAPMlnE / 0.771
2wdz NADGalactitol dehydrogenase / 0.769
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.765
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.765
2yy7 NADL-threonine dehydrogenase / 0.763
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.763
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.756
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.753
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.752
1sny NAPLD36273p / 0.751
1zem NADXylitol dehydrogenase / 0.751
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.751
4qec NAPElxO / 0.749
3l77 NJPShort-chain alcohol dehydrogenase / 0.748
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.748
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.747
3bmo NAPPteridine reductase / 0.747
3r3s NADPutative oxidoreductase / 0.747
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.746
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.742
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.741
4hxy NDPPlm1 / 0.740
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.738
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.737
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.735
1i3l NADUDP-glucose 4-epimerase / 0.734
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.734
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.733
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.733
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.733
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.733
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.732
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.732
1sby NADAlcohol dehydrogenase 1.1.1.1 0.731
3h4v NAPPteridine reductase 1 1.5.1.33 0.728
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.726
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.726
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.726
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.725
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.724
4u7w NDPMxaA / 0.722
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.721
4clo NAPPteridine reductase / 0.720
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.720
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.717
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.713
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.713
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.712
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.711
3aw9 NADNAD-dependent epimerase/dehydratase / 0.711
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.710
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.710
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.710
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.709
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.709
1e7y NDPGlucose-6-phosphate 1-dehydrogenase / 0.708
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.708
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.708
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.706
5jyd NADShort chain dehydrogenase / 0.705
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.703
3ko8 NADNAD-dependent epimerase/dehydratase / 0.703
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.702
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.701
3icp NADNAD-dependent epimerase/dehydratase / 0.700
5j23 A2RPutative 2-hydroxyacid dehydrogenase / 0.700
3a9w NADNDP-sugar epimerase / 0.699
2bfo NDPPteridine reductase 1 1.5.1.33 0.698
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.697
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.696
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.696
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.695
2p5u NADUDP-glucose 4-epimerase / 0.695
2yut NAPPutative short-chain oxidoreductase / 0.695
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.694
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.693
4xyb NDPFormate dehydrogenase / 0.693
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.692
3lqf NADGalactitol dehydrogenase / 0.692
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.691
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.690
3baz NAPHydroxyphenylpyruvate reductase 1.1.1.237 0.689
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.688
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.687
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.687
5lc1 NADL-threonine 3-dehydrogenase / 0.687
4y9d NAIC alpha-dehydrogenase / 0.686
1orr NADCDP-paratose 2-epimerase / 0.685
2rcy NAPPyrroline-5-carboxylate reductase / 0.685
4wji NAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase / 0.685
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.683
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.682
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.682
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.682
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.680
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.680
3a4v NADNDP-sugar epimerase / 0.679
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.679
2p5y NADUDP-glucose 4-epimerase / 0.678
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.678
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.677
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.676
4eso NAPPutative oxidoreductase / 0.675
1hdo NAPFlavin reductase (NADPH) / 0.674
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.673
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.673
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.672
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.671
3ajr NADNDP-sugar epimerase / 0.670
3orf NADDihydropteridine reductase 1.5.1.34 0.670
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.670
4bkq NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.670
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.669
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.669
4egb NADdTDP-glucose 4,6-dehydratase / 0.669
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.668
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.668
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.666
1g1a NADdTDP-glucose 4,6-dehydratase / 0.665
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.662
4b4o NDPEpimerase family protein SDR39U1 / 0.662
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.662
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.661
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.661
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.661
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.660
2v6g NAP3-oxo-Delta(4,5)-steroid 5-beta-reductase / 0.660
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.660
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.660
3phi NDPShikimate dehydrogenase (NADP(+)) / 0.660
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.660
4idg NADPutative UDP-glucose 4-epimerase / 0.660
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.659
5ein NAP[LysW]-L-2-aminoadipate 6-phosphate reductase / 0.659
1ek5 NADUDP-glucose 4-epimerase / 0.658
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.658
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.657
4ga3 4GAFarnesyl pyrophosphate synthase 2.5.1.10 0.657
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.656
1rpn NDPGDP-mannose 4,6-dehydratase / 0.656
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.656
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.656
4yac NAIC alpha-dehydrogenase / 0.656
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.655
3f1k NAPUncharacterized oxidoreductase YciK 1 0.655
4dwb 0M7Farnesyl pyrophosphate synthase / 0.655
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.654
3wmx NADNAD dependent epimerase/dehydratase / 0.653
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.653
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.652
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.652
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.651