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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
1pr9 NAP L-xylulose reductase 1.1.1.10

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
1pr9 NAPL-xylulose reductase 1.1.1.10 1.354
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 1.221
3d3w NAPL-xylulose reductase 1.1.1.10 1.185
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.913
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.897
1oaa NAPSepiapterin reductase 1.1.1.153 0.893
2bd0 NAPSepiapterin reductase / 0.891
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.890
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.889
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.873
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.864
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.862
4hwk NAPSepiapterin reductase 1.1.1.153 0.861
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.856
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.856
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.854
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.853
1ipe NDPTropinone reductase 2 1.1.1.236 0.851
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.850
4bmv NAPShort-chain dehydrogenase / 0.850
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.847
1ae1 NAPTropinone reductase 1 / 0.846
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.844
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.840
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.839
3l77 NJPShort-chain alcohol dehydrogenase / 0.839
3p19 NDPPutative blue fluorescent protein / 0.838
4dbz NDPPutative ketoacyl reductase 1.3.1 0.835
3o26 NDPSalutaridine reductase / 0.834
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.832
4kwh NAPReductase homolog / 0.831
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.828
3tn7 NJPShort-chain alcohol dehydrogenase / 0.827
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.825
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.824
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.824
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.822
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.820
4j7u NAPSepiapterin reductase 1.1.1.153 0.820
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.819
4fn4 NADShort chain dehydrogenase / 0.815
4j7x NAPSepiapterin reductase 1.1.1.153 0.815
1x7h NDPPutative ketoacyl reductase 1.3.1 0.814
3sx2 NADUncharacterized protein / 0.813
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.812
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.812
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.811
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.807
4b79 NADProbable short-chain dehydrogenase / 0.807
3ak4 NADNADH-dependent quinuclidinone reductase / 0.804
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.804
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.803
3wds NADNADH-dependent quinuclidinone reductase / 0.800
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.799
3s55 NADPutative short-chain dehydrogenase/reductase / 0.799
5jyd NADShort chain dehydrogenase / 0.798
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.797
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.797
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.796
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.796
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.795
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.794
2jah NDPClavaldehyde dehydrogenase / 0.794
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.794
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.793
3qrw NDPPutative ketoacyl reductase 1.3.1 0.791
2wsb NADGalactitol dehydrogenase / 0.789
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.789
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.789
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.789
2p5y NADUDP-glucose 4-epimerase / 0.788
4wec NADShort chain dehydrogenase / 0.787
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.785
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.783
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.783
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.783
3tsc NADUncharacterized protein / 0.782
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.779
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.778
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.777
2wdz NADGalactitol dehydrogenase / 0.777
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.776
3geg NADShort-chain dehydrogenase/reductase SDR / 0.776
5jla NADPutative short-chain dehydrogenase/reductase / 0.774
1xkq NDPUncharacterized protein / 0.773
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.771
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.770
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.769
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.768
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.767
2dte NAIGlucose 1-dehydrogenase related protein / 0.767
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.765
1sny NAPLD36273p / 0.764
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.762
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.759
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.759
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.759
5lc1 NADL-threonine 3-dehydrogenase / 0.759
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.758
3wmx NADNAD dependent epimerase/dehydratase / 0.758
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.758
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.758
1w4z NAPPutative ketoacyl reductase 1.3.1 0.757
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.756
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.756
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.756
1x7g NAPPutative ketoacyl reductase 1.3.1 0.753
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.752
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.751
2c29 NAPDihydroflavonol 4-reductase / 0.750
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.750
4yag NAIC alpha-dehydrogenase / 0.750
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.749
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.748
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.748
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.747
4qec NAPElxO / 0.746
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.744
3h4v NAPPteridine reductase 1 1.5.1.33 0.744
3sju NDPKeto reductase / 0.744
4eso NAPPutative oxidoreductase / 0.744
1wnt NAPL-xylulose reductase 1.1.1.10 0.743
3uce NDPDehydrogenase / 0.743
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.743
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.742
4yai NAIC alpha-dehydrogenase / 0.742
3aw9 NADNAD-dependent epimerase/dehydratase / 0.741
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.740
3r3s NADPutative oxidoreductase / 0.740
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.739
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.738
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.737
3ai2 NDPNADPH-sorbose reductase / 0.736
2yut NAPPutative short-chain oxidoreductase / 0.735
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.734
2c20 NADUDP-glucose 4-epimerase / 0.734
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.733
3ai3 NDPNADPH-sorbose reductase / 0.731
2p5u NADUDP-glucose 4-epimerase / 0.729
3bmo NAPPteridine reductase / 0.729
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.729
1zem NADXylitol dehydrogenase / 0.728
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.728
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.727
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.724
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.724
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.723
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.722
3tox NAPPutative oxidoreductase / 0.720
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.719
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.718
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.717
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.717
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.717
4u7w NDPMxaA / 0.717
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.716
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.714
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.713
4qed NAPElxO / 0.713
2bfo NDPPteridine reductase 1 1.5.1.33 0.711
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.711
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.709
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.708
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.708
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.708
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.706
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.706
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.706
2yy7 NADL-threonine dehydrogenase / 0.705
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.704
4yr9 NADL-threonine 3-dehydrogenase, mitochondrial 1.1.1.103 0.703
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.701
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.700
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.697
2z1m NDPGDP-mannose 4,6-dehydratase / 0.697
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.695
1sby NADAlcohol dehydrogenase 1.1.1.1 0.693
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.693
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.693
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.692
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.692
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.692
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.691
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.691
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.690
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.689
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.689
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.689
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.689
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.689
1ek5 NADUDP-glucose 4-epimerase / 0.688
1g1a NADdTDP-glucose 4,6-dehydratase / 0.688
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.687
3a9w NADNDP-sugar epimerase / 0.686
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.684
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.684
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.683
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.683
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.683
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.683
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.682
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.682
5d2e NAPMlnE / 0.682
4egb NADdTDP-glucose 4,6-dehydratase / 0.681
1rpn NDPGDP-mannose 4,6-dehydratase / 0.680
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.679
4oqy NDP(S)-imine reductase / 0.678
4imp NDPPolyketide synthase extender modules 3-4 / 0.677
1vrw NAIEnoyl-ACP reductase / 0.676
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.676
2vwh NAPGlucose 1-dehydrogenase / 0.676
2vwq NAPGlucose 1-dehydrogenase / 0.676
4o1m NADEnoyl-acyl carrier reductase / 0.676
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.674
2vhv NAIAlanine dehydrogenase 1.4.1.1 0.674
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.674
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.674
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.674
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.673
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.673
4hxy NDPPlm1 / 0.673
2ewm NAD(S)-1-Phenylethanol dehydrogenase 1.1.1.311 0.672
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.670
3f1k NAPUncharacterized oxidoreductase YciK 1 0.670
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.669
4idg NADPutative UDP-glucose 4-epimerase / 0.669
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.668
3u4c NDPNADPH-dependent reductase BacG / 0.668
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.668
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.668
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.667
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.666
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.666
3mje NDPAmphB / 0.665
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.664
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.664
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.663
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.663
1xq6 NAPUncharacterized protein At5g02240 / 0.662
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.661
2z95 NDPGDP-mannose 4,6-dehydratase / 0.661
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.660
3h2s NDPPutative NADH-flavin reductase / 0.660
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.659
2b5v NAPGlucose 1-dehydrogenase / 0.659
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.659
3w6u NAP6-phosphogluconate dehydrogenase, NAD-binding protein / 0.658
1i3l NADUDP-glucose 4-epimerase / 0.657
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.657
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.657
3ajr NADNDP-sugar epimerase / 0.655
3ubm COAFormyl-CoA:oxalate CoA-transferase / 0.654
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.653
4y1b NAPAntE / 0.653
4b4o NDPEpimerase family protein SDR39U1 / 0.651
4b7x NAPProbable oxidoreductase / 0.651
4m55 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.651
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.650
3orf NADDihydropteridine reductase 1.5.1.34 0.650
3ruh UD6UDP-N-acetylglucosamine 4-epimerase / 0.650
4n5n NAPAcetoacetyl-CoA reductase 1.1.1.36 0.650