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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
4qed NAP ElxO

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4qed NAPElxO / 1.258
4qec NAPElxO / 1.219
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.883
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.848
2jah NDPClavaldehyde dehydrogenase / 0.840
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.838
3ai3 NDPNADPH-sorbose reductase / 0.829
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.828
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.826
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.824
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.824
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.824
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.810
3wds NADNADH-dependent quinuclidinone reductase / 0.810
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.809
3ai2 NDPNADPH-sorbose reductase / 0.807
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.807
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.806
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.803
4u7w NDPMxaA / 0.802
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.802
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.799
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.798
4dbz NDPPutative ketoacyl reductase 1.3.1 0.797
3ak4 NADNADH-dependent quinuclidinone reductase / 0.796
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.795
2wsb NADGalactitol dehydrogenase / 0.794
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.793
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.790
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.789
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.788
3sju NDPKeto reductase / 0.787
4b79 NADProbable short-chain dehydrogenase / 0.787
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.786
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.786
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.785
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.785
3mje NDPAmphB / 0.785
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.785
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.781
3qrw NDPPutative ketoacyl reductase 1.3.1 0.779
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.776
1x7h NDPPutative ketoacyl reductase 1.3.1 0.775
1x7g NAPPutative ketoacyl reductase 1.3.1 0.773
3d3w NAPL-xylulose reductase 1.1.1.10 0.773
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.770
3s55 NADPutative short-chain dehydrogenase/reductase / 0.767
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.766
3tn7 NJPShort-chain alcohol dehydrogenase / 0.765
4kwh NAPReductase homolog / 0.765
3p19 NDPPutative blue fluorescent protein / 0.764
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.764
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.764
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.763
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.763
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.763
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.761
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.760
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.760
1zem NADXylitol dehydrogenase / 0.759
2dte NAIGlucose 1-dehydrogenase related protein / 0.759
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.758
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.757
3o26 NDPSalutaridine reductase / 0.756
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.755
2wdz NADGalactitol dehydrogenase / 0.755
4wec NADShort chain dehydrogenase / 0.754
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.753
3icp NADNAD-dependent epimerase/dehydratase / 0.753
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.753
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.752
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.751
2yut NAPPutative short-chain oxidoreductase / 0.751
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.749
1ipe NDPTropinone reductase 2 1.1.1.236 0.748
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.748
2p5u NADUDP-glucose 4-epimerase / 0.745
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.742
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.742
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.742
2c29 NAPDihydroflavonol 4-reductase / 0.740
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.739
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.739
3l77 NJPShort-chain alcohol dehydrogenase / 0.739
4fn4 NADShort chain dehydrogenase / 0.739
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.738
3ko8 NADNAD-dependent epimerase/dehydratase / 0.737
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.736
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.736
1i3l NADUDP-glucose 4-epimerase / 0.735
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.735
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.735
4j7x NAPSepiapterin reductase 1.1.1.153 0.735
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.735
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.734
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.733
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.733
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.731
4hwk NAPSepiapterin reductase 1.1.1.153 0.731
4j7u NAPSepiapterin reductase 1.1.1.153 0.731
5jla NADPutative short-chain dehydrogenase/reductase / 0.731
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.730
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.728
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.728
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.728
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.727
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.727
2yy7 NADL-threonine dehydrogenase / 0.726
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.726
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.726
4bmv NAPShort-chain dehydrogenase / 0.724
2bd0 NAPSepiapterin reductase / 0.723
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.723
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.723
1ae1 NAPTropinone reductase 1 / 0.722
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.721
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.719
4yai NAIC alpha-dehydrogenase / 0.719
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.718
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.718
3uce NDPDehydrogenase / 0.717
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.716
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.715
1g1a NADdTDP-glucose 4,6-dehydratase / 0.715
3lqf NADGalactitol dehydrogenase / 0.715
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.715
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.714
1pr9 NAPL-xylulose reductase 1.1.1.10 0.713
3aw9 NADNAD-dependent epimerase/dehydratase / 0.713
3r3s NADPutative oxidoreductase / 0.713
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.712
3tsc NADUncharacterized protein / 0.712
3a4v NADNDP-sugar epimerase / 0.711
3tox NAPPutative oxidoreductase / 0.711
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.708
3wmx NADNAD dependent epimerase/dehydratase / 0.708
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.707
1xkq NDPUncharacterized protein / 0.706
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.704
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.704
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.703
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.703
3sx2 NADUncharacterized protein / 0.703
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.703
1orr NADCDP-paratose 2-epimerase / 0.702
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.702
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.702
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.702
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.702
4yag NAIC alpha-dehydrogenase / 0.702
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.701
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.700
2jl1 NAPTriphenylmethane reductase / 0.699
5lc1 NADL-threonine 3-dehydrogenase / 0.699
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.697
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.697
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.696
3ajr NADNDP-sugar epimerase / 0.695
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.695
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.694
4imp NDPPolyketide synthase extender modules 3-4 / 0.694
1sny NAPLD36273p / 0.693
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.692
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.692
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.691
1wvg APRCDP-glucose 4,6-dehydratase 4.2.1.45 0.690
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.689
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.688
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.687
4b4o NDPEpimerase family protein SDR39U1 / 0.687
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.686
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.686
4eso NAPPutative oxidoreductase / 0.686
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.685
3a9w NADNDP-sugar epimerase / 0.685
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.685
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.684
1sby NADAlcohol dehydrogenase 1.1.1.1 0.684
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.684
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.684
1iy8 NADLevodione reductase / 0.683
3geg NADShort-chain dehydrogenase/reductase SDR / 0.683
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.682
4hxy NDPPlm1 / 0.682
1rpn NDPGDP-mannose 4,6-dehydratase / 0.681
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.681
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.681
5d2e NAPMlnE / 0.681
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.680
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.680
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.679
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.678
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.678
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.676
4xb1 NDP319aa long hypothetical homoserine dehydrogenase / 0.675
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.674
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.674
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.674
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.673
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.673
1pno NAPNAD(P) transhydrogenase subunit beta 1.6.1.2 0.672
3orf NADDihydropteridine reductase 1.5.1.34 0.672
5jyd NADShort chain dehydrogenase / 0.671
2zzc NAPThioredoxin reductase 1, cytoplasmic 1.8.1.9 0.670
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.669
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.668
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.668
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.667
1w4z NAPPutative ketoacyl reductase 1.3.1 0.667
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.667
1oaa NAPSepiapterin reductase 1.1.1.153 0.666
3u4c NDPNADPH-dependent reductase BacG / 0.666
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.666
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.665
2bgl NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.664
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.663
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.663
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.662
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.661
1get NAPGlutathione reductase 1.8.1.7 0.658
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.658
3zu2 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.658
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.657
2b36 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.657
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.657
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.657
4a5l NDPThioredoxin reductase / 0.656
1fnd A2PFerredoxin--NADP reductase, chloroplastic 1.18.1.2 0.655
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.655
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.655
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.655
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.654
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.652
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.652
4fox UMPThymidylate synthase ThyA / 0.652
1nyt NAPShikimate dehydrogenase (NADP(+)) / 0.651
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.651
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.651
4irr UMPThymidylate synthase / 0.651
3a1n NADNDP-sugar epimerase / 0.650
3f1k NAPUncharacterized oxidoreductase YciK 1 0.650