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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
4k6f NAP Putative Acetoacetyl-CoA reductase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4k6f NAPPutative Acetoacetyl-CoA reductase / 1.184
4u7w NDPMxaA / 0.857
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.847
3p19 NDPPutative blue fluorescent protein / 0.830
4b79 NADProbable short-chain dehydrogenase / 0.827
3r3s NADPutative oxidoreductase / 0.819
3wds NADNADH-dependent quinuclidinone reductase / 0.815
2dte NAIGlucose 1-dehydrogenase related protein / 0.814
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.813
5d2e NAPMlnE / 0.813
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.809
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.808
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.808
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.808
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.808
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.807
2c29 NAPDihydroflavonol 4-reductase / 0.798
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.798
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.797
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.796
4hxy NDPPlm1 / 0.796
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.794
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.793
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.791
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.790
4qec NAPElxO / 0.790
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.789
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.787
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.786
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.785
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.785
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.784
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.784
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.783
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.782
3o26 NDPSalutaridine reductase / 0.781
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.780
3mje NDPAmphB / 0.780
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.780
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.778
2p5y NADUDP-glucose 4-epimerase / 0.776
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.774
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.774
5jyd NADShort chain dehydrogenase / 0.773
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.771
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.770
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.769
3ak4 NADNADH-dependent quinuclidinone reductase / 0.769
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.768
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.767
1zem NADXylitol dehydrogenase / 0.767
3ai2 NDPNADPH-sorbose reductase / 0.767
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.767
1g1a NADdTDP-glucose 4,6-dehydratase / 0.766
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.766
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.766
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.766
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.766
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.765
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.764
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.764
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.764
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.763
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.763
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.762
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.762
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.761
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.761
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.760
3ko8 NADNAD-dependent epimerase/dehydratase / 0.760
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.757
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.756
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.756
3tn7 NJPShort-chain alcohol dehydrogenase / 0.756
1sby NADAlcohol dehydrogenase 1.1.1.1 0.755
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.755
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.754
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.754
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.754
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.753
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.753
1pr9 NAPL-xylulose reductase 1.1.1.10 0.752
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.752
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.752
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.751
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.751
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.750
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.750
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.750
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.750
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.749
1sny NAPLD36273p / 0.748
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.747
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.746
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.746
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.745
2jah NDPClavaldehyde dehydrogenase / 0.745
3a9w NADNDP-sugar epimerase / 0.745
1orr NADCDP-paratose 2-epimerase / 0.744
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.744
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.743
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.743
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.742
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.741
3ai3 NDPNADPH-sorbose reductase / 0.741
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.741
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.741
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.740
4j7u NAPSepiapterin reductase 1.1.1.153 0.740
3aw9 NADNAD-dependent epimerase/dehydratase / 0.739
1x7h NDPPutative ketoacyl reductase 1.3.1 0.738
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.738
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.738
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.738
3icp NADNAD-dependent epimerase/dehydratase / 0.737
4kwh NAPReductase homolog / 0.737
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.734
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.733
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.732
3d3w NAPL-xylulose reductase 1.1.1.10 0.731
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.731
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.730
3f1k NAPUncharacterized oxidoreductase YciK 1 0.730
3s55 NADPutative short-chain dehydrogenase/reductase / 0.730
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.729
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.729
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.728
3qrw NDPPutative ketoacyl reductase 1.3.1 0.728
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.728
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.727
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.726
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.726
4dbz NDPPutative ketoacyl reductase 1.3.1 0.726
2wsb NADGalactitol dehydrogenase / 0.725
3sju NDPKeto reductase / 0.725
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.725
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.724
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.723
3l77 NJPShort-chain alcohol dehydrogenase / 0.723
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.722
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.721
3sx2 NADUncharacterized protein / 0.721
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.720
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.720
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.719
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.719
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.719
4yag NAIC alpha-dehydrogenase / 0.719
4yai NAIC alpha-dehydrogenase / 0.719
3tox NAPPutative oxidoreductase / 0.718
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.718
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.717
4bmv NAPShort-chain dehydrogenase / 0.717
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.716
3a4v NADNDP-sugar epimerase / 0.716
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.714
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.714
3ajr NADNDP-sugar epimerase / 0.712
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.711
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.710
3tsc NADUncharacterized protein / 0.709
1x7g NAPPutative ketoacyl reductase 1.3.1 0.708
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.707
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.707
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.707
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.707
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.705
1xkq NDPUncharacterized protein / 0.705
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.705
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.704
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.704
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.704
1oaa NAPSepiapterin reductase 1.1.1.153 0.703
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.702
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.701
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.700
2yy7 NADL-threonine dehydrogenase / 0.700
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.699
1ipe NDPTropinone reductase 2 1.1.1.236 0.698
1w4z NAPPutative ketoacyl reductase 1.3.1 0.698
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.698
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.698
3bmo NAPPteridine reductase / 0.698
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.697
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.696
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.696
4qxm NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.696
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.695
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.694
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.694
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.693
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.692
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.691
2wdz NADGalactitol dehydrogenase / 0.690
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.690
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.689
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.688
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.688
4eso NAPPutative oxidoreductase / 0.688
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.687
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.686
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.685
4n5n NAPAcetoacetyl-CoA reductase 1.1.1.36 0.685
4wec NADShort chain dehydrogenase / 0.684
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.683
4egb NADdTDP-glucose 4,6-dehydratase / 0.682
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.681
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.681
4b7x NAPProbable oxidoreductase / 0.681
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.680
1vrw NAIEnoyl-ACP reductase / 0.679
3uce NDPDehydrogenase / 0.679
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.677
1ek5 NADUDP-glucose 4-epimerase / 0.676
2y05 NAPProstaglandin reductase 1 / 0.676
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.675
1iy8 NADLevodione reductase / 0.674
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.673
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.673
5jla NADPutative short-chain dehydrogenase/reductase / 0.673
2bd0 NAPSepiapterin reductase / 0.672
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.672
3geg NADShort-chain dehydrogenase/reductase SDR / 0.672
1ae1 NAPTropinone reductase 1 / 0.671
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.671
4o1m NADEnoyl-acyl carrier reductase / 0.670
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.670
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.668
2z1m NDPGDP-mannose 4,6-dehydratase / 0.668
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.668
2bgl NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.666
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.666
3u4c NDPNADPH-dependent reductase BacG / 0.664
4imp NDPPolyketide synthase extender modules 3-4 / 0.662
2ehu NAD1-pyrroline-5-carboxylate dehydrogenase / 0.661
1enp NADEnoyl-[acyl-carrier-protein] reductase [NADH], chloroplastic 1.3.1.9 0.659
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.658
1bws NDPGDP-L-fucose synthase / 0.657
2yut NAPPutative short-chain oxidoreductase / 0.657
2c20 NADUDP-glucose 4-epimerase / 0.656
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.656
5lc1 NADL-threonine 3-dehydrogenase / 0.656
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.655
3wmx NADNAD dependent epimerase/dehydratase / 0.655
2bfo NDPPteridine reductase 1 1.5.1.33 0.654
2v6g NAP3-oxo-Delta(4,5)-steroid 5-beta-reductase / 0.654
4cr8 NADN-acylmannosamine 1-dehydrogenase 1.1.1.233 0.654
4bkq NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.653
3q3c NADNAD-dependent L-serine dehydrogenase / 0.651
4hfm NAP2-alkenal reductase (NADP(+)-dependent) / 0.651
1kc1 NDPdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.650
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.650