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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
3mje NDP AmphB

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
3mje NDPAmphB / 1.403
5d2e NAPMlnE / 0.927
4hxy NDPPlm1 / 0.894
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.851
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.848
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.847
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.843
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.838
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.836
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.835
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.826
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.824
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.820
4dbz NDPPutative ketoacyl reductase 1.3.1 0.820
2c29 NAPDihydroflavonol 4-reductase / 0.818
1rpn NDPGDP-mannose 4,6-dehydratase / 0.813
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.810
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.807
2p5y NADUDP-glucose 4-epimerase / 0.807
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.805
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.801
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.800
1x7g NAPPutative ketoacyl reductase 1.3.1 0.799
4qec NAPElxO / 0.798
1sny NAPLD36273p / 0.797
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.797
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.793
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.792
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.791
1zem NADXylitol dehydrogenase / 0.790
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.789
3s55 NADPutative short-chain dehydrogenase/reductase / 0.788
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.786
4qed NAPElxO / 0.785
3ko8 NADNAD-dependent epimerase/dehydratase / 0.782
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.781
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.780
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.779
2wsb NADGalactitol dehydrogenase / 0.777
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.774
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.774
3icp NADNAD-dependent epimerase/dehydratase / 0.773
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.772
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.770
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.770
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.767
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.767
3sju NDPKeto reductase / 0.767
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.766
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.766
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.765
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.763
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.763
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.763
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.762
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.761
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.761
3tox NAPPutative oxidoreductase / 0.761
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.759
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.756
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.756
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.755
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.755
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.755
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.754
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.754
3uce NDPDehydrogenase / 0.754
3d3w NAPL-xylulose reductase 1.1.1.10 0.753
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.753
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.751
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.750
2yy7 NADL-threonine dehydrogenase / 0.749
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.749
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.748
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.745
1i3l NADUDP-glucose 4-epimerase / 0.745
1x7h NDPPutative ketoacyl reductase 1.3.1 0.744
4idg NADPutative UDP-glucose 4-epimerase / 0.740
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.739
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.739
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.738
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.738
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.737
3a1n NADNDP-sugar epimerase / 0.737
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.737
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.736
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.736
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.736
4l4x NDPAmphI / 0.735
3p19 NDPPutative blue fluorescent protein / 0.734
3r3s NADPutative oxidoreductase / 0.734
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.733
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.733
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.733
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.733
1sby NADAlcohol dehydrogenase 1.1.1.1 0.732
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.732
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.732
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.731
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.730
2yut NAPPutative short-chain oxidoreductase / 0.730
4yai NAIC alpha-dehydrogenase / 0.730
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.729
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.729
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.728
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.728
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.727
4b79 NADProbable short-chain dehydrogenase / 0.727
4egb NADdTDP-glucose 4,6-dehydratase / 0.727
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.726
4imp NDPPolyketide synthase extender modules 3-4 / 0.726
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.725
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.724
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.724
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.723
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.723
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.723
3qrw NDPPutative ketoacyl reductase 1.3.1 0.723
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.723
4u7w NDPMxaA / 0.723
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.722
2p5u NADUDP-glucose 4-epimerase / 0.721
3o26 NDPSalutaridine reductase / 0.721
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.720
3baz NAPHydroxyphenylpyruvate reductase 1.1.1.237 0.718
1g1a NADdTDP-glucose 4,6-dehydratase / 0.717
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.717
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.717
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.717
4b4o NDPEpimerase family protein SDR39U1 / 0.717
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.717
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.716
3sx2 NADUncharacterized protein / 0.716
4kwh NAPReductase homolog / 0.716
1w4z NAPPutative ketoacyl reductase 1.3.1 0.715
2jah NDPClavaldehyde dehydrogenase / 0.715
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.715
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.714
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.713
3ai3 NDPNADPH-sorbose reductase / 0.713
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.712
3tsc NADUncharacterized protein / 0.712
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.711
2bfo NDPPteridine reductase 1 1.5.1.33 0.711
2v6g NAP3-oxo-Delta(4,5)-steroid 5-beta-reductase / 0.711
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.711
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.709
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.708
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.707
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.707
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.703
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.703
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.702
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.701
3a4v NADNDP-sugar epimerase / 0.701
4bmv NAPShort-chain dehydrogenase / 0.700
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.700
2wdz NADGalactitol dehydrogenase / 0.699
3orf NADDihydropteridine reductase 1.5.1.34 0.698
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.697
5lc1 NADL-threonine 3-dehydrogenase / 0.696
1orr NADCDP-paratose 2-epimerase / 0.694
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.692
1wvg APRCDP-glucose 4,6-dehydratase 4.2.1.45 0.691
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.691
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.690
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.689
1ae1 NAPTropinone reductase 1 / 0.688
1iy8 NADLevodione reductase / 0.688
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.688
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.688
5jla NADPutative short-chain dehydrogenase/reductase / 0.688
3tn7 NJPShort-chain alcohol dehydrogenase / 0.687
3ajr NADNDP-sugar epimerase / 0.686
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.686
4ejm NAPPutative zinc-binding dehydrogenase / 0.686
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.686
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.685
4j16 NAPNAD(P) transhydrogenase subunit beta / 0.685
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.684
3a9w NADNDP-sugar epimerase / 0.684
1pno NAPNAD(P) transhydrogenase subunit beta 1.6.1.2 0.683
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.683
4j7x NAPSepiapterin reductase 1.1.1.153 0.683
2c20 NADUDP-glucose 4-epimerase / 0.682
3ak4 NADNADH-dependent quinuclidinone reductase / 0.682
1ipe NDPTropinone reductase 2 1.1.1.236 0.681
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.681
4hwk NAPSepiapterin reductase 1.1.1.153 0.681
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.680
1djl NAPNAD(P) transhydrogenase, mitochondrial 1.6.1.2 0.679
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.679
3l77 NJPShort-chain alcohol dehydrogenase / 0.679
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.679
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.677
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.676
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.676
3kbo NDPGlyoxylate/hydroxypyruvate reductase A / 0.676
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.676
4dpy 2P0Mevalonate diphosphate decarboxylase / 0.676
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.675
4yag NAIC alpha-dehydrogenase / 0.674
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.674
3jyn NDPQuinone oxidoreductase / 0.673
3u4c NDPNADPH-dependent reductase BacG / 0.673
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.673
4eso NAPPutative oxidoreductase / 0.673
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
3ai2 NDPNADPH-sorbose reductase / 0.671
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.671
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.670
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.670
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.670
4j7u NAPSepiapterin reductase 1.1.1.153 0.670
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.670
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.669
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.669
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.669
5jyd NADShort chain dehydrogenase / 0.669
2aqk NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.668
2dte NAIGlucose 1-dehydrogenase related protein / 0.668
3f1k NAPUncharacterized oxidoreductase YciK 1 0.668
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.668
4fn4 NADShort chain dehydrogenase / 0.668
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.667
3iup NDPPossible NADH oxidoreductase / 0.667
1t90 NADMalonate-semialdehyde dehydrogenase 1.2.1.27 0.666
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.666
1pr9 NAPL-xylulose reductase 1.1.1.10 0.665
2y05 NAPProstaglandin reductase 1 / 0.665
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.665
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.664
1kc1 NDPdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.664
2vwp NDPGlucose 1-dehydrogenase / 0.664
3geg NADShort-chain dehydrogenase/reductase SDR / 0.664
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.663
2g8d UMPThymidylate synthase / 0.663
2z1m NDPGDP-mannose 4,6-dehydratase / 0.663
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.663
2vwh NAPGlucose 1-dehydrogenase / 0.662
4qxm NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.662
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.660
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.659
2x0i NAIMalate dehydrogenase / 0.659
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.659
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.658
4wec NADShort chain dehydrogenase / 0.658
4rvu NDPProbable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein) / 0.657
3phi NDPShikimate dehydrogenase (NADP(+)) / 0.656
1bws NDPGDP-L-fucose synthase / 0.655
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.655
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.655
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.653
2f1k NAPPrephenate dehydrogenase / 0.653
4e5n NADPhosphonate dehydrogenase 1.20.1.1 0.653
1wnt NAPL-xylulose reductase 1.1.1.10 0.652
2e37 NADL-lactate dehydrogenase / 0.652
1dir NADDihydropteridine reductase 1.5.1.34 0.651
2z95 NDPGDP-mannose 4,6-dehydratase / 0.651
3l0n S5PUridine 5'-monophosphate synthase 4.1.1.23 0.651
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.651
4cr8 NADN-acylmannosamine 1-dehydrogenase 1.1.1.233 0.651
4clo NAPPteridine reductase / 0.650
4wji NAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase / 0.650