Logo scPDB

sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Logo CNRS Logo Unistra
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
4qec NAP ElxO

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4qec NAPElxO / 1.278
4qed NAPElxO / 1.219
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.895
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.892
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.892
2wsb NADGalactitol dehydrogenase / 0.864
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.851
3ai3 NDPNADPH-sorbose reductase / 0.851
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.850
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.846
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.845
2jah NDPClavaldehyde dehydrogenase / 0.843
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.840
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.834
4b79 NADProbable short-chain dehydrogenase / 0.834
2wdz NADGalactitol dehydrogenase / 0.830
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.829
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.828
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.828
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.823
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.813
1zem NADXylitol dehydrogenase / 0.811
2p5u NADUDP-glucose 4-epimerase / 0.811
2p5y NADUDP-glucose 4-epimerase / 0.810
3ai2 NDPNADPH-sorbose reductase / 0.809
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.809
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.808
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.806
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.806
3wds NADNADH-dependent quinuclidinone reductase / 0.806
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.805
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.805
3p19 NDPPutative blue fluorescent protein / 0.804
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.803
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.803
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.803
3sju NDPKeto reductase / 0.802
4u7w NDPMxaA / 0.802
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.801
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.800
3s55 NADPutative short-chain dehydrogenase/reductase / 0.800
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.799
3o26 NDPSalutaridine reductase / 0.799
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.798
3mje NDPAmphB / 0.798
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.798
1x7h NDPPutative ketoacyl reductase 1.3.1 0.796
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.795
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.790
4kwh NAPReductase homolog / 0.790
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.789
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.789
3qrw NDPPutative ketoacyl reductase 1.3.1 0.789
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.789
2yut NAPPutative short-chain oxidoreductase / 0.787
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.786
2c29 NAPDihydroflavonol 4-reductase / 0.785
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.785
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.783
4wec NADShort chain dehydrogenase / 0.783
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.782
3ak4 NADNADH-dependent quinuclidinone reductase / 0.781
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.780
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.780
3l77 NJPShort-chain alcohol dehydrogenase / 0.780
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.780
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.779
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.779
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.778
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.775
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.774
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.770
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.768
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.768
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.767
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.767
4fn4 NADShort chain dehydrogenase / 0.767
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.765
3tsc NADUncharacterized protein / 0.764
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.763
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.762
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.762
2dte NAIGlucose 1-dehydrogenase related protein / 0.761
4yag NAIC alpha-dehydrogenase / 0.759
3icp NADNAD-dependent epimerase/dehydratase / 0.758
1x7g NAPPutative ketoacyl reductase 1.3.1 0.757
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.757
2bd0 NAPSepiapterin reductase / 0.756
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.756
3d3w NAPL-xylulose reductase 1.1.1.10 0.756
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.755
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.753
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.753
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.751
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.750
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.749
4dbz NDPPutative ketoacyl reductase 1.3.1 0.749
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.747
4j7x NAPSepiapterin reductase 1.1.1.153 0.747
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.747
1pr9 NAPL-xylulose reductase 1.1.1.10 0.746
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.746
3r3s NADPutative oxidoreductase / 0.746
3tn7 NJPShort-chain alcohol dehydrogenase / 0.746
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.744
3ko8 NADNAD-dependent epimerase/dehydratase / 0.744
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.743
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.741
4hxy NDPPlm1 / 0.741
3sx2 NADUncharacterized protein / 0.739
2yy7 NADL-threonine dehydrogenase / 0.737
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.737
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.736
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.735
5jla NADPutative short-chain dehydrogenase/reductase / 0.735
1sny NAPLD36273p / 0.733
3aw9 NADNAD-dependent epimerase/dehydratase / 0.733
3lqf NADGalactitol dehydrogenase / 0.733
1w4z NAPPutative ketoacyl reductase 1.3.1 0.731
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.731
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.730
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.730
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.729
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.729
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.729
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.728
4hwk NAPSepiapterin reductase 1.1.1.153 0.727
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.726
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.726
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.726
4idg NADPutative UDP-glucose 4-epimerase / 0.725
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.724
4yai NAIC alpha-dehydrogenase / 0.724
1ipe NDPTropinone reductase 2 1.1.1.236 0.723
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.723
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.723
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.722
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.722
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.722
1sby NADAlcohol dehydrogenase 1.1.1.1 0.720
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.720
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.718
3a4v NADNDP-sugar epimerase / 0.717
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.717
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.716
4imp NDPPolyketide synthase extender modules 3-4 / 0.715
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.715
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.714
1iy8 NADLevodione reductase / 0.714
3geg NADShort-chain dehydrogenase/reductase SDR / 0.712
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.711
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.711
4j7u NAPSepiapterin reductase 1.1.1.153 0.711
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.709
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.708
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.707
3ajr NADNDP-sugar epimerase / 0.707
4bmv NAPShort-chain dehydrogenase / 0.707
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.706
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.706
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.705
1oaa NAPSepiapterin reductase 1.1.1.153 0.705
4b4o NDPEpimerase family protein SDR39U1 / 0.704
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.704
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.703
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.702
1orr NADCDP-paratose 2-epimerase / 0.701
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.701
3a9w NADNDP-sugar epimerase / 0.700
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.699
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.699
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.698
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.698
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.698
5d2e NAPMlnE / 0.697
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.696
3tox NAPPutative oxidoreductase / 0.696
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.695
1g1a NADdTDP-glucose 4,6-dehydratase / 0.694
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.694
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.692
1xkq NDPUncharacterized protein / 0.692
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.692
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
3wmx NADNAD dependent epimerase/dehydratase / 0.690
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.690
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.690
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.687
2hk9 NAPShikimate dehydrogenase (NADP(+)) / 0.686
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.685
4egb NADdTDP-glucose 4,6-dehydratase / 0.685
4eso NAPPutative oxidoreductase / 0.685
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.684
2bfo NDPPteridine reductase 1 1.5.1.33 0.683
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.683
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.683
3uce NDPDehydrogenase / 0.683
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.683
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.683
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.682
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.682
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.679
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.679
1ae1 NAPTropinone reductase 1 / 0.678
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.678
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.676
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.676
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.675
3mvq NDPGlutamate dehydrogenase 1, mitochondrial 1.4.1.3 0.675
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.674
3oab DSTGeranyl diphosphate synthase large subunit / 0.674
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.674
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.674
2olq ATPPhosphoenolpyruvate carboxykinase (ATP) / 0.672
4a5l NDPThioredoxin reductase / 0.672
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.672
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.671
2pr2 DG1Enoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.671
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.671
2zzc NAPThioredoxin reductase 1, cytoplasmic 1.8.1.9 0.670
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.670
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.668
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.667
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.667
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.667
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.666
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.665
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.664
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.664
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.662
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.661
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.660
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
2xlt NA0Putative flavin-containing monooxygenase / 0.658
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.658
4a1o AMZBifunctional purine biosynthesis protein PurH 2.1.2.3 0.657
4xb1 NDP319aa long hypothetical homoserine dehydrogenase / 0.657
5lc1 NADL-threonine 3-dehydrogenase / 0.657
1i3l NADUDP-glucose 4-epimerase / 0.656
1rqj RISFarnesyl diphosphate synthase 2.5.1.10 0.655
3h4v NAPPteridine reductase 1 1.5.1.33 0.655
4o1m NADEnoyl-acyl carrier reductase / 0.655
5jyd NADShort chain dehydrogenase / 0.654
1hdo NAPFlavin reductase (NADPH) / 0.653
3u4c NDPNADPH-dependent reductase BacG / 0.652
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.651
4qm6 GTPMetallophosphoesterase / 0.651
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.650
3f1k NAPUncharacterized oxidoreductase YciK 1 0.650
4qxm NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.650