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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
3ko8 NAD NAD-dependent epimerase/dehydratase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
3ko8 NADNAD-dependent epimerase/dehydratase / 1.321
3icp NADNAD-dependent epimerase/dehydratase / 1.296
2p5y NADUDP-glucose 4-epimerase / 1.131
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 1.044
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 1.024
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.990
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.985
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.973
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.971
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.970
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.965
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.958
1i3l NADUDP-glucose 4-epimerase / 0.957
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.945
3aw9 NADNAD-dependent epimerase/dehydratase / 0.944
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.938
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.929
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.916
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.911
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.907
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.906
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.899
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.892
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.883
1orr NADCDP-paratose 2-epimerase / 0.874
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.874
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.870
4m55 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.860
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.858
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.857
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.851
1g1a NADdTDP-glucose 4,6-dehydratase / 0.843
4hxy NDPPlm1 / 0.838
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.835
2p5u NADUDP-glucose 4-epimerase / 0.820
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.818
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.813
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.812
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.811
2c20 NADUDP-glucose 4-epimerase / 0.810
2wsb NADGalactitol dehydrogenase / 0.808
1zem NADXylitol dehydrogenase / 0.805
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.803
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.801
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.800
4u7w NDPMxaA / 0.799
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.797
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.795
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.792
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.791
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.789
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.786
3mje NDPAmphB / 0.782
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.782
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.779
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.778
2wdz NADGalactitol dehydrogenase / 0.777
4egb NADdTDP-glucose 4,6-dehydratase / 0.777
3wds NADNADH-dependent quinuclidinone reductase / 0.773
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.771
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.766
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.764
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.762
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.760
3a9w NADNDP-sugar epimerase / 0.759
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.758
2c29 NAPDihydroflavonol 4-reductase / 0.756
3bmo NAPPteridine reductase / 0.755
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.754
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.753
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.753
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.753
3s55 NADPutative short-chain dehydrogenase/reductase / 0.753
4id9 NADPutative UDP-glucose 4-epimerase / 0.753
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.751
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.749
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.748
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.748
4idg NADPutative UDP-glucose 4-epimerase / 0.745
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.744
4qec NAPElxO / 0.744
3p19 NDPPutative blue fluorescent protein / 0.743
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.743
2dte NAIGlucose 1-dehydrogenase related protein / 0.742
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.742
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.742
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.741
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.740
3tsc NADUncharacterized protein / 0.740
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.739
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.739
1oaa NAPSepiapterin reductase 1.1.1.153 0.739
4qed NAPElxO / 0.737
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.736
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.736
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.735
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.735
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.735
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.735
4j7x NAPSepiapterin reductase 1.1.1.153 0.735
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.734
3a4v NADNDP-sugar epimerase / 0.734
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.733
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.732
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.732
3sx2 NADUncharacterized protein / 0.732
1iy8 NADLevodione reductase / 0.730
3rfx NADUronate dehydrogenase / 0.730
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.729
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.728
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.728
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.726
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.726
2z1m NDPGDP-mannose 4,6-dehydratase / 0.726
3qvs NADMyo-inositol-1-phosphate synthase (Ino1) / 0.725
3qvx NADMyo-inositol-1-phosphate synthase (Ino1) / 0.725
4wec NADShort chain dehydrogenase / 0.725
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.724
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.723
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.723
3r3s NADPutative oxidoreductase / 0.722
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.721
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.719
3ajr NADNDP-sugar epimerase / 0.719
4b79 NADProbable short-chain dehydrogenase / 0.719
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.717
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.716
5lc1 NADL-threonine 3-dehydrogenase / 0.716
3ak4 NADNADH-dependent quinuclidinone reductase / 0.714
4imp NDPPolyketide synthase extender modules 3-4 / 0.713
3h4v NAPPteridine reductase 1 1.5.1.33 0.712
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.712
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.711
3uce NDPDehydrogenase / 0.710
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.710
2jah NDPClavaldehyde dehydrogenase / 0.709
3ai3 NDPNADPH-sorbose reductase / 0.709
3o26 NDPSalutaridine reductase / 0.709
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.708
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.708
2yy7 NADL-threonine dehydrogenase / 0.706
4clo NAPPteridine reductase / 0.704
4dbz NDPPutative ketoacyl reductase 1.3.1 0.703
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.703
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.703
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.702
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.702
3tox NAPPutative oxidoreductase / 0.702
3d3w NAPL-xylulose reductase 1.1.1.10 0.701
3wmx NADNAD dependent epimerase/dehydratase / 0.701
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.700
2o06 MTASpermidine synthase 2.5.1.16 0.700
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.700
2bfo NDPPteridine reductase 1 1.5.1.33 0.699
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.698
2o07 MTASpermidine synthase 2.5.1.16 0.698
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.698
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.698
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.698
4j7u NAPSepiapterin reductase 1.1.1.153 0.698
5jyd NADShort chain dehydrogenase / 0.698
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.697
4yag NAIC alpha-dehydrogenase / 0.697
1rpn NDPGDP-mannose 4,6-dehydratase / 0.694
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.694
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.694
2yut NAPPutative short-chain oxidoreductase / 0.693
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.693
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.692
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.692
1sny NAPLD36273p / 0.690
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.690
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.690
2ixb NADAlpha-N-acetylgalactosaminidase 3.2.1.49 0.689
2bgl NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.688
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.688
2c7q SAHModification methylase HhaI 2.1.1.37 0.687
3geg NADShort-chain dehydrogenase/reductase SDR / 0.687
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.687
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.687
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.686
2z6u SAHModification methylase HhaI 2.1.1.37 0.686
4y9d NAIC alpha-dehydrogenase / 0.686
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.685
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.684
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.683
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.683
4yai NAIC alpha-dehydrogenase / 0.683
5jla NADPutative short-chain dehydrogenase/reductase / 0.682
4mb2 ATPUncharacterized protein / 0.681
4yuv S4MSpermidine synthase, putative / 0.681
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.680
4b4o NDPEpimerase family protein SDR39U1 / 0.680
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.680
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.680
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.679
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.679
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.678
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.677
1p1i NADInositol-3-phosphate synthase 5.5.1.4 0.676
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.676
4bmv NAPShort-chain dehydrogenase / 0.676
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.675
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.675
1x7h NDPPutative ketoacyl reductase 1.3.1 0.674
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.674
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.673
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.673
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.672
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.670
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.669
4yv1 S4MSpermidine synthase, putative / 0.669
1kc1 NDPdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.668
3nt2 NAIInositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase 1.1.1.18 0.668
1bws NDPGDP-L-fucose synthase / 0.667
1eg2 MTAModification methylase RsrI 2.1.1.72 0.667
1zmc NADDihydrolipoyl dehydrogenase, mitochondrial 1.8.1.4 0.667
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.667
2ih2 NEAModification methylase TaqI 2.1.1.72 0.667
3sju NDPKeto reductase / 0.667
4o1m NADEnoyl-acyl carrier reductase / 0.667
1ek5 NADUDP-glucose 4-epimerase / 0.666
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.666
4kwh NAPReductase homolog / 0.666
2hmv ADPKtr system potassium uptake protein A / 0.665
3qow SAMHistone-lysine N-methyltransferase, H3 lysine-79 specific 2.1.1.43 0.665
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.665
4l4x NDPAmphI / 0.664
4nec SAHPutative SAM-dependent methyltransferase / 0.664
2ym2 FADPhenylacetone monooxygenase 1.14.13.92 0.663
3rw9 DSHSpermidine synthase 2.5.1.16 0.663
3orf NADDihydropteridine reductase 1.5.1.34 0.662
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.662
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.661
1nuu NADNicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 / 0.661
3u4c NDPNADPH-dependent reductase BacG / 0.661
2c0c NAPProstaglandin reductase 3 1 0.660
4xgi NADGlutamate dehydrogenase / 0.660
1x7d NADPutative ornithine cyclodeaminase / 0.659
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
1xq6 NAPUncharacterized protein At5g02240 / 0.658
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.658
3bgv SAHmRNA cap guanine-N7 methyltransferase 2.1.1.56 0.658
2np6 NEAModification methylase TaqI 2.1.1.72 0.657
3ai2 NDPNADPH-sorbose reductase / 0.657
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.656
2nyu SAMrRNA methyltransferase 2, mitochondrial / 0.655
4n5n NAPAcetoacetyl-CoA reductase 1.1.1.36 0.655
2bd0 NAPSepiapterin reductase / 0.654
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.654
3a1n NADNDP-sugar epimerase / 0.654
4i1i NADMalate dehydrogenase / 0.654
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.653
3f1k NAPUncharacterized oxidoreductase YciK 1 0.653
3nlc FADUncharacterized protein / 0.653
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.653
4l4s NAIL-lactate dehydrogenase A chain 1.1.1.27 0.653
1hyh NADL-2-hydroxyisocaproate dehydrogenase / 0.651
4ek9 EP4Histone-lysine N-methyltransferase, H3 lysine-79 specific 2.1.1.43 0.651
4hwk NAPSepiapterin reductase 1.1.1.153 0.651
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.650
3lfz ADPUncharacterized protein MJ1225 / 0.650
5je2 SAHMethyl transferase / 0.650