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
4u7w NDP MxaA

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4u7w NDPMxaA / 1.403
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.873
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.871
3icp NADNAD-dependent epimerase/dehydratase / 0.860
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.857
2c29 NAPDihydroflavonol 4-reductase / 0.843
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.838
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.837
1g1a NADdTDP-glucose 4,6-dehydratase / 0.837
2yut NAPPutative short-chain oxidoreductase / 0.834
2p5y NADUDP-glucose 4-epimerase / 0.827
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.825
3aw9 NADNAD-dependent epimerase/dehydratase / 0.823
4bmv NAPShort-chain dehydrogenase / 0.823
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.819
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.817
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.815
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.812
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.811
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.808
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.806
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.802
4qec NAPElxO / 0.802
4qed NAPElxO / 0.802
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.800
3ko8 NADNAD-dependent epimerase/dehydratase / 0.799
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.799
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.798
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.795
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.794
3p19 NDPPutative blue fluorescent protein / 0.794
3wds NADNADH-dependent quinuclidinone reductase / 0.794
1sny NAPLD36273p / 0.791
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.790
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.790
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.788
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.788
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.787
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.785
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.783
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.782
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.781
1oaa NAPSepiapterin reductase 1.1.1.153 0.779
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.779
2yy7 NADL-threonine dehydrogenase / 0.778
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.776
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.775
1rpn NDPGDP-mannose 4,6-dehydratase / 0.773
3o26 NDPSalutaridine reductase / 0.773
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.773
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.773
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.772
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.772
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.771
4j7u NAPSepiapterin reductase 1.1.1.153 0.771
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.770
4hwk NAPSepiapterin reductase 1.1.1.153 0.770
4hxy NDPPlm1 / 0.769
2wsb NADGalactitol dehydrogenase / 0.768
4j7x NAPSepiapterin reductase 1.1.1.153 0.768
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.767
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.764
4kwh NAPReductase homolog / 0.764
3tox NAPPutative oxidoreductase / 0.763
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.762
1x7g NAPPutative ketoacyl reductase 1.3.1 0.762
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.759
2jah NDPClavaldehyde dehydrogenase / 0.759
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.759
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.758
1zem NADXylitol dehydrogenase / 0.757
3s55 NADPutative short-chain dehydrogenase/reductase / 0.757
3uce NDPDehydrogenase / 0.757
4b79 NADProbable short-chain dehydrogenase / 0.757
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.757
5jyd NADShort chain dehydrogenase / 0.757
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.756
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.756
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.753
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.753
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.752
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.752
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.750
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.746
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.745
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.745
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.745
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.744
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.743
4wec NADShort chain dehydrogenase / 0.743
1x7h NDPPutative ketoacyl reductase 1.3.1 0.742
4egb NADdTDP-glucose 4,6-dehydratase / 0.742
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.741
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.740
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.740
3a9w NADNDP-sugar epimerase / 0.740
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.739
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.739
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.739
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.737
2p5u NADUDP-glucose 4-epimerase / 0.737
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.736
3ai3 NDPNADPH-sorbose reductase / 0.736
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.736
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.735
3wmx NADNAD dependent epimerase/dehydratase / 0.735
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.734
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.733
1ipe NDPTropinone reductase 2 1.1.1.236 0.732
2hk9 NAPShikimate dehydrogenase (NADP(+)) / 0.732
4b4o NDPEpimerase family protein SDR39U1 / 0.732
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.731
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.731
5d2e NAPMlnE / 0.731
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.730
2bd0 NAPSepiapterin reductase / 0.730
3ai2 NDPNADPH-sorbose reductase / 0.729
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.729
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.728
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.727
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.724
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.723
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.723
3mje NDPAmphB / 0.723
3r3s NADPutative oxidoreductase / 0.723
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.723
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.722
3d3w NAPL-xylulose reductase 1.1.1.10 0.722
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.722
4dbz NDPPutative ketoacyl reductase 1.3.1 0.722
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.721
3ak4 NADNADH-dependent quinuclidinone reductase / 0.721
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.719
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.719
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.718
1pr9 NAPL-xylulose reductase 1.1.1.10 0.717
3f1k NAPUncharacterized oxidoreductase YciK 1 0.717
2wdz NADGalactitol dehydrogenase / 0.716
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.716
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.714
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.713
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.713
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.712
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.711
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.711
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.711
5jla NADPutative short-chain dehydrogenase/reductase / 0.711
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.710
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.710
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.708
1orr NADCDP-paratose 2-epimerase / 0.707
2z95 NDPGDP-mannose 4,6-dehydratase / 0.707
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.707
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.707
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.707
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.705
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.705
4idg NADPutative UDP-glucose 4-epimerase / 0.705
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.705
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.703
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.702
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.702
3a4v NADNDP-sugar epimerase / 0.702
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.701
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.701
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.700
1i3l NADUDP-glucose 4-epimerase / 0.699
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.699
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.698
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.698
4id9 NADPutative UDP-glucose 4-epimerase / 0.698
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.697
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.697
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.696
1iy8 NADLevodione reductase / 0.695
3orf NADDihydropteridine reductase 1.5.1.34 0.695
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.695
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.695
2iyp A2P6-phosphogluconate dehydrogenase, decarboxylating 1.1.1.44 0.694
3l77 NJPShort-chain alcohol dehydrogenase / 0.694
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.693
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.692
2c20 NADUDP-glucose 4-epimerase / 0.692
4cr8 NADN-acylmannosamine 1-dehydrogenase 1.1.1.233 0.692
1hdo NAPFlavin reductase (NADPH) / 0.691
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.691
4fda NAP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.691
4yai NAIC alpha-dehydrogenase / 0.689
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.688
4xb2 NDP319aa long hypothetical homoserine dehydrogenase / 0.688
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.687
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.687
4m55 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.687
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.686
4fn4 NADShort chain dehydrogenase / 0.685
4yr9 NADL-threonine 3-dehydrogenase, mitochondrial 1.1.1.103 0.685
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.684
4gae NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic 1.1.1.267 0.684
1sby NADAlcohol dehydrogenase 1.1.1.1 0.683
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.683
4n5n NAPAcetoacetyl-CoA reductase 1.1.1.36 0.683
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.683
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.682
2jkv NAP6-phosphogluconate dehydrogenase, decarboxylating 1.1.1.44 0.681
5lc1 NADL-threonine 3-dehydrogenase / 0.681
4imp NDPPolyketide synthase extender modules 3-4 / 0.680
1nyt NAPShikimate dehydrogenase (NADP(+)) / 0.675
2z1m NDPGDP-mannose 4,6-dehydratase / 0.675
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.674
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.672
3h4v NAPPteridine reductase 1 1.5.1.33 0.672
3icr COACoenzyme A disulfide reductase / 0.672
3qrw NDPPutative ketoacyl reductase 1.3.1 0.672
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.671
2dte NAIGlucose 1-dehydrogenase related protein / 0.671
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.671
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.670
3geg NADShort-chain dehydrogenase/reductase SDR / 0.670
2cvz NDP3-hydroxyisobutyrate dehydrogenase / 0.669
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.669
4o1m NADEnoyl-acyl carrier reductase / 0.669
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.667
1ae1 NAPTropinone reductase 1 / 0.666
3iup NDPPossible NADH oxidoreductase / 0.666
4oqy NDP(S)-imine reductase / 0.665
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.664
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.664
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.663
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.662
3tn7 NJPShort-chain alcohol dehydrogenase / 0.661
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
3sju NDPKeto reductase / 0.659
1w4z NAPPutative ketoacyl reductase 1.3.1 0.658
1xq6 NAPUncharacterized protein At5g02240 / 0.658
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.658
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.658
2bfo NDPPteridine reductase 1 1.5.1.33 0.657
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.656
3se5 ANPAdenosine monophosphate-protein transferase NmFic 2.7.7.n1 0.655
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.654
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.654
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.654
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.654
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.654
2bgl NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.653
3gwf NAPCyclohexanone monooxygenase / 0.653
5bsg NAPPyrroline-5-carboxylate reductase / 0.653
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.652
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.652
1fxs NAPGDP-L-fucose synthase / 0.651
1h6c NDPGlucose--fructose oxidoreductase 1.1.99.28 0.651
3c1o NAPEugenol synthase / 0.651
1ek5 NADUDP-glucose 4-epimerase / 0.650
1yqd NAPSinapyl alcohol dehydrogenase / 0.650
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.650