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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
4nbt NAD 3-oxoacyl-[acyl-carrier-protein] reductase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 1.129
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 1.055
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 1.001
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.986
3wds NADNADH-dependent quinuclidinone reductase / 0.962
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.961
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.943
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.941
3ak4 NADNADH-dependent quinuclidinone reductase / 0.933
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.930
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.929
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.926
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.920
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.917
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.900
5jla NADPutative short-chain dehydrogenase/reductase / 0.897
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.895
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.894
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.894
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.894
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.893
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.892
3s55 NADPutative short-chain dehydrogenase/reductase / 0.890
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.879
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.876
4dbz NDPPutative ketoacyl reductase 1.3.1 0.873
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.867
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.865
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.862
3sju NDPKeto reductase / 0.862
3sx2 NADUncharacterized protein / 0.861
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.861
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.861
1x7h NDPPutative ketoacyl reductase 1.3.1 0.855
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.854
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.853
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.852
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.850
4qec NAPElxO / 0.850
3tsc NADUncharacterized protein / 0.848
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.848
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.847
1x7g NAPPutative ketoacyl reductase 1.3.1 0.843
3o26 NDPSalutaridine reductase / 0.841
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.841
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.841
3p19 NDPPutative blue fluorescent protein / 0.838
2wsb NADGalactitol dehydrogenase / 0.837
4yag NAIC alpha-dehydrogenase / 0.836
1sny NAPLD36273p / 0.834
2dte NAIGlucose 1-dehydrogenase related protein / 0.832
2jah NDPClavaldehyde dehydrogenase / 0.832
2wdz NADGalactitol dehydrogenase / 0.832
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.830
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.830
1iy8 NADLevodione reductase / 0.829
4b79 NADProbable short-chain dehydrogenase / 0.829
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.828
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.828
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.828
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.826
3icp NADNAD-dependent epimerase/dehydratase / 0.825
4j7u NAPSepiapterin reductase 1.1.1.153 0.825
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.824
1zem NADXylitol dehydrogenase / 0.824
4yai NAIC alpha-dehydrogenase / 0.824
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.822
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.819
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.817
4j7x NAPSepiapterin reductase 1.1.1.153 0.816
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.815
3ai2 NDPNADPH-sorbose reductase / 0.815
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.815
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.814
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.813
3aw9 NADNAD-dependent epimerase/dehydratase / 0.812
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.811
4bmv NAPShort-chain dehydrogenase / 0.811
1ipe NDPTropinone reductase 2 1.1.1.236 0.810
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.810
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.809
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.809
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.808
4hwk NAPSepiapterin reductase 1.1.1.153 0.808
2bd0 NAPSepiapterin reductase / 0.807
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.806
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.806
4qed NAPElxO / 0.806
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.805
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.804
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.802
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.800
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.799
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.798
4wec NADShort chain dehydrogenase / 0.797
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.797
1pr9 NAPL-xylulose reductase 1.1.1.10 0.796
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.796
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.795
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.794
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.794
3tn7 NJPShort-chain alcohol dehydrogenase / 0.792
3ko8 NADNAD-dependent epimerase/dehydratase / 0.791
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.790
4kwh NAPReductase homolog / 0.790
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.789
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.786
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.786
3geg NADShort-chain dehydrogenase/reductase SDR / 0.786
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.785
1ae1 NAPTropinone reductase 1 / 0.784
3qrw NDPPutative ketoacyl reductase 1.3.1 0.784
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.784
3wmx NADNAD dependent epimerase/dehydratase / 0.783
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.782
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.782
1orr NADCDP-paratose 2-epimerase / 0.781
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.781
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.781
1i3l NADUDP-glucose 4-epimerase / 0.779
1oaa NAPSepiapterin reductase 1.1.1.153 0.778
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.778
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.778
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.778
2c29 NAPDihydroflavonol 4-reductase / 0.774
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.773
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.771
3d3w NAPL-xylulose reductase 1.1.1.10 0.771
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.771
5d2e NAPMlnE / 0.770
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.762
3a4v NADNDP-sugar epimerase / 0.762
3l77 NJPShort-chain alcohol dehydrogenase / 0.762
3r3s NADPutative oxidoreductase / 0.762
3uce NDPDehydrogenase / 0.761
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.760
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.759
4hxy NDPPlm1 / 0.759
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.758
2p5u NADUDP-glucose 4-epimerase / 0.757
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.756
1w4z NAPPutative ketoacyl reductase 1.3.1 0.756
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.755
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.753
4idg NADPutative UDP-glucose 4-epimerase / 0.751
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.750
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.750
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.749
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.749
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.747
2p5y NADUDP-glucose 4-epimerase / 0.747
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.743
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.743
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.742
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.742
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.741
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.740
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.739
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.739
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.738
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.738
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.737
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.736
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.735
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.733
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.733
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.733
3tox NAPPutative oxidoreductase / 0.731
4u7w NDPMxaA / 0.731
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.730
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.730
4clo NAPPteridine reductase / 0.728
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.728
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.727
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.726
3a9w NADNDP-sugar epimerase / 0.725
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.724
3h4v NAPPteridine reductase 1 1.5.1.33 0.723
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.723
3bmo NAPPteridine reductase / 0.722
4fn4 NADShort chain dehydrogenase / 0.722
2yy7 NADL-threonine dehydrogenase / 0.720
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.717
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.716
1sby NADAlcohol dehydrogenase 1.1.1.1 0.716
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.715
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.715
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.715
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.714
3ajr NADNDP-sugar epimerase / 0.713
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.713
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.707
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.707
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.707
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.707
3mje NDPAmphB / 0.707
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.707
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.707
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.706
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.706
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.705
2c20 NADUDP-glucose 4-epimerase / 0.705
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.704
4yac NAIC alpha-dehydrogenase / 0.704
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.703
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.702
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.702
3ai3 NDPNADPH-sorbose reductase / 0.702
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.702
4egb NADdTDP-glucose 4,6-dehydratase / 0.702
5jyd NADShort chain dehydrogenase / 0.702
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.701
3orf NADDihydropteridine reductase 1.5.1.34 0.701
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.698
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.696
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.696
3u4c NDPNADPH-dependent reductase BacG / 0.693
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.693
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
1xkq NDPUncharacterized protein / 0.688
2z1m NDPGDP-mannose 4,6-dehydratase / 0.688
4imp NDPPolyketide synthase extender modules 3-4 / 0.688
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.687
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.685
2bfo NDPPteridine reductase 1 1.5.1.33 0.682
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.682
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.681
2yut NAPPutative short-chain oxidoreductase / 0.680
3abi NADUncharacterized protein / 0.680
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.679
2dt5 NADRedox-sensing transcriptional repressor Rex / 0.678
4eso NAPPutative oxidoreductase / 0.678
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.676
1g1a NADdTDP-glucose 4,6-dehydratase / 0.676
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.675
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.675
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.675
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.674
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.674
1kc1 NDPdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.673
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.672
2g76 NADD-3-phosphoglycerate dehydrogenase 1.1.1.95 0.672
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
1jki NAIInositol-3-phosphate synthase 5.5.1.4 0.667
2bgl NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.667
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.667
3ec7 NADInositol 2-dehydrogenase / 0.665
3lqf NADGalactitol dehydrogenase / 0.665
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.662
2pr2 DG1Enoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.661
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.660
4n5n NAPAcetoacetyl-CoA reductase 1.1.1.36 0.660
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.659
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
2vhw NAIAlanine dehydrogenase 1.4.1.1 0.658
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.658
4id9 NADPutative UDP-glucose 4-epimerase / 0.657
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.656
1dir NADDihydropteridine reductase 1.5.1.34 0.655
4yr9 NADL-threonine 3-dehydrogenase, mitochondrial 1.1.1.103 0.655
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.654
1uay ADNOxidoreductase / 0.651
1psd NADD-3-phosphoglycerate dehydrogenase 1.1.1.95 0.650