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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
4yai NAI C alpha-dehydrogenase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4yai NAIC alpha-dehydrogenase / 1.259
4yag NAIC alpha-dehydrogenase / 1.200
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.995
1iy8 NADLevodione reductase / 0.938
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.937
4fn4 NADShort chain dehydrogenase / 0.928
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.909
3geg NADShort-chain dehydrogenase/reductase SDR / 0.902
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.892
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.888
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.885
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.883
4dbz NDPPutative ketoacyl reductase 1.3.1 0.880
3sx2 NADUncharacterized protein / 0.878
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.873
1x7h NDPPutative ketoacyl reductase 1.3.1 0.871
5jla NADPutative short-chain dehydrogenase/reductase / 0.865
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.864
3tn7 NJPShort-chain alcohol dehydrogenase / 0.862
4bmv NAPShort-chain dehydrogenase / 0.861
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.860
3tsc NADUncharacterized protein / 0.857
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.849
1orr NADCDP-paratose 2-epimerase / 0.846
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.845
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.840
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.838
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.838
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.838
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.836
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.835
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.832
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.832
1ipe NDPTropinone reductase 2 1.1.1.236 0.829
3l77 NJPShort-chain alcohol dehydrogenase / 0.828
3p19 NDPPutative blue fluorescent protein / 0.827
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.827
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.826
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.826
3qrw NDPPutative ketoacyl reductase 1.3.1 0.824
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.824
2dte NAIGlucose 1-dehydrogenase related protein / 0.816
3o26 NDPSalutaridine reductase / 0.814
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.813
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.813
1x7g NAPPutative ketoacyl reductase 1.3.1 0.810
2wsb NADGalactitol dehydrogenase / 0.809
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.805
4hwk NAPSepiapterin reductase 1.1.1.153 0.805
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.804
3wds NADNADH-dependent quinuclidinone reductase / 0.801
2jah NDPClavaldehyde dehydrogenase / 0.800
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.798
3s55 NADPutative short-chain dehydrogenase/reductase / 0.797
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.797
4b79 NADProbable short-chain dehydrogenase / 0.795
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.794
4wec NADShort chain dehydrogenase / 0.794
4j7u NAPSepiapterin reductase 1.1.1.153 0.792
3ai2 NDPNADPH-sorbose reductase / 0.789
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.788
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.786
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.786
3ak4 NADNADH-dependent quinuclidinone reductase / 0.782
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.781
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.781
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.780
1w4z NAPPutative ketoacyl reductase 1.3.1 0.778
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.775
4j7x NAPSepiapterin reductase 1.1.1.153 0.773
5jyd NADShort chain dehydrogenase / 0.773
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.772
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.770
2c29 NAPDihydroflavonol 4-reductase / 0.769
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.769
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.767
3d3w NAPL-xylulose reductase 1.1.1.10 0.766
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.766
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.765
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.763
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.762
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.761
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.761
3sju NDPKeto reductase / 0.761
2p5u NADUDP-glucose 4-epimerase / 0.760
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.759
1oaa NAPSepiapterin reductase 1.1.1.153 0.757
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.756
4yac NAIC alpha-dehydrogenase / 0.756
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.755
1zem NADXylitol dehydrogenase / 0.755
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.755
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.754
4kwh NAPReductase homolog / 0.753
2bd0 NAPSepiapterin reductase / 0.752
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.750
3tox NAPPutative oxidoreductase / 0.750
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.749
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.749
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.748
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.747
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.746
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.745
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.745
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.744
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.742
1pr9 NAPL-xylulose reductase 1.1.1.10 0.742
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.741
1xkq NDPUncharacterized protein / 0.740
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.740
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.740
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.739
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.737
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.736
3ai3 NDPNADPH-sorbose reductase / 0.736
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.736
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.735
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.733
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.733
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.732
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.731
3aw9 NADNAD-dependent epimerase/dehydratase / 0.730
3mje NDPAmphB / 0.730
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.730
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.729
1ae1 NAPTropinone reductase 1 / 0.727
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.727
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.727
3r3s NADPutative oxidoreductase / 0.726
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.725
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.724
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.724
4qec NAPElxO / 0.724
4o1m NADEnoyl-acyl carrier reductase / 0.723
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.721
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.721
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.720
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.720
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.720
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.719
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.719
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.719
4qed NAPElxO / 0.719
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.718
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.717
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.714
3a9w NADNDP-sugar epimerase / 0.713
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.712
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.712
3uce NDPDehydrogenase / 0.711
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.710
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.710
2bfo NDPPteridine reductase 1 1.5.1.33 0.709
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.708
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.707
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.706
1vrw NAIEnoyl-ACP reductase / 0.705
3ajr NADNDP-sugar epimerase / 0.705
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.704
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.703
1ek5 NADUDP-glucose 4-epimerase / 0.702
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.702
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.697
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.697
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.697
2ore SAHDNA adenine methylase 2.1.1.72 0.694
1sny NAPLD36273p / 0.693
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.693
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.693
1f0y NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.692
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.692
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.692
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.692
3icp NADNAD-dependent epimerase/dehydratase / 0.691
4hxy NDPPlm1 / 0.691
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.691
5d2e NAPMlnE / 0.691
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.690
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.690
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.690
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.690
2eq7 NADDihydrolipoyl dehydrogenase / 0.689
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.689
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.689
4u7w NDPMxaA / 0.689
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.688
2yy7 NADL-threonine dehydrogenase / 0.687
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.687
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.686
1i3l NADUDP-glucose 4-epimerase / 0.686
2pr2 DG1Enoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.685
4b69 FADL-ornithine N(5)-monooxygenase / 0.685
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.685
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.684
3jyq NADQuinate/shikimate dehydrogenase (NAD(+)) / 0.683
3ko8 NADNAD-dependent epimerase/dehydratase / 0.683
3jyo NADQuinate/shikimate dehydrogenase (NAD(+)) / 0.682
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.682
3qv1 NADGlyceraldehyde-3-phosphate dehydrogenase GAPA1, chloroplastic 1.2.1.13 0.682
2p5y NADUDP-glucose 4-epimerase / 0.681
2q3e NAIUDP-glucose 6-dehydrogenase 1.1.1.22 0.681
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.680
4y9d NAIC alpha-dehydrogenase / 0.680
4jnk NAIL-lactate dehydrogenase A chain 1.1.1.27 0.679
1nqa NADGlyceraldehyde-3-phosphate dehydrogenase / 0.678
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.676
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.676
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.676
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.676
2gvc FADThiol-specific monooxygenase 1.14.13 0.675
1sby NADAlcohol dehydrogenase 1.1.1.1 0.674
2ewm NAD(S)-1-Phenylethanol dehydrogenase 1.1.1.311 0.674
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.674
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.673
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.673
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.673
4bkq NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.673
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.673
2g82 NADGlyceraldehyde-3-phosphate dehydrogenase / 0.672
5lc1 NADL-threonine 3-dehydrogenase / 0.672
2p35 SAHTrans-aconitate 2-methyltransferase / 0.671
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.671
4dwv NAJAlcohol dehydrogenase E chain 1.1.1.1 0.671
2dfv NADL-threonine 3-dehydrogenase / 0.670
2hmv ADPKtr system potassium uptake protein A / 0.670
3jv7 NADSecondary alcohol dehydrogenase / 0.670
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.670
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.670
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.669
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.669
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.669
4clo NAPPteridine reductase / 0.669
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.669
1wvg APRCDP-glucose 4,6-dehydratase 4.2.1.45 0.668
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.667
3ad9 FADSubunit beta of sarcosine oxidase / 0.667
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.667
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.667
4k2x FADPolyketide oxygenase/hydroxylase / 0.667
1lld NADL-lactate dehydrogenase 2 1.1.1.27 0.666
3adp NAILambda-crystallin 1.1.1.45 0.666
4j4b NAIUncharacterized protein / 0.666
3a1n NADNDP-sugar epimerase / 0.665
3bmo NAPPteridine reductase / 0.665
3h4v NAPPteridine reductase 1 1.5.1.33 0.665
4dxh NAJAlcohol dehydrogenase E chain 1.1.1.1 0.665
5kj6 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.665
4gbe SAHDNA adenine methylase 2.1.1.72 0.664
4u8m FDAUDP-galactopyranose mutase / 0.664
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.662
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.662
3wsw NADL-lactate dehydrogenase / 0.661
4pyo SAHCatechol O-methyltransferase 2.1.1.6 0.661
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.660
5cdt NAJAlcohol dehydrogenase E chain 1.1.1.1 0.660
1la2 NADInositol-3-phosphate synthase 5.5.1.4 0.659
1pdh FASp-hydroxybenzoate hydroxylase / 0.659
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.658
2yqz SAMUncharacterized protein / 0.658
4ek9 EP4Histone-lysine N-methyltransferase, H3 lysine-79 specific 2.1.1.43 0.658
1zm7 TTPDeoxynucleoside kinase / 0.657
4mb2 ATPUncharacterized protein / 0.657
2ji6 ADPOxalyl-CoA decarboxylase 4.1.1.8 0.656
1uay ADNOxidoreductase / 0.655
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.655
5kje NAJAlcohol dehydrogenase E chain 1.1.1.1 0.655
1hf3 NADAlcohol dehydrogenase E chain 1.1.1.1 0.654
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.654
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.653
2e37 NADL-lactate dehydrogenase / 0.653
3ihg FADAklavinone 12-hydroxylase RdmE / 0.653
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.653
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.652
4egb NADdTDP-glucose 4,6-dehydratase / 0.652
4okn NAIL-lactate dehydrogenase A chain 1.1.1.27 0.652
4wji NAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase / 0.652
5e9w SAHmRNA cap guanine-N7 methyltransferase 2.1.1.56 0.652
5kcz NAJAlcohol dehydrogenase E chain 1.1.1.1 0.651
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.650
3iup NDPPossible NADH oxidoreductase / 0.650
4nfh NAJAlcohol dehydrogenase E chain 1.1.1.1 0.650
5cdg NAJAlcohol dehydrogenase E chain 1.1.1.1 0.650