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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
4pvd NDP NADPH-dependent methylglyoxal reductase GRE2

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 1.322
2c29 NAPDihydroflavonol 4-reductase / 0.927
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.873
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.872
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.865
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.850
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.840
4u7w NDPMxaA / 0.838
3wds NADNADH-dependent quinuclidinone reductase / 0.837
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.835
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.832
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.829
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.829
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.826
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.824
1sny NAPLD36273p / 0.823
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.822
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.821
3p19 NDPPutative blue fluorescent protein / 0.818
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.813
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.810
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.808
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.805
3ai2 NDPNADPH-sorbose reductase / 0.805
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.804
1x7g NAPPutative ketoacyl reductase 1.3.1 0.799
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.797
3o26 NDPSalutaridine reductase / 0.793
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.792
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.790
4kwh NAPReductase homolog / 0.790
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.789
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.789
4dbz NDPPutative ketoacyl reductase 1.3.1 0.787
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.787
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.785
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.785
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.784
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.781
5jyd NADShort chain dehydrogenase / 0.780
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.779
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.779
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.778
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.774
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.773
1ae1 NAPTropinone reductase 1 / 0.771
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.769
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.769
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.768
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.767
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.767
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.767
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.767
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.766
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.766
2yut NAPPutative short-chain oxidoreductase / 0.765
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.765
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.765
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.765
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.762
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.762
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.762
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.761
5jla NADPutative short-chain dehydrogenase/reductase / 0.761
3ai3 NDPNADPH-sorbose reductase / 0.758
1i3l NADUDP-glucose 4-epimerase / 0.757
3s55 NADPutative short-chain dehydrogenase/reductase / 0.757
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.757
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.756
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.756
3tn7 NJPShort-chain alcohol dehydrogenase / 0.756
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.756
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.755
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.754
1ipe NDPTropinone reductase 2 1.1.1.236 0.753
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.753
2wdz NADGalactitol dehydrogenase / 0.753
3geg NADShort-chain dehydrogenase/reductase SDR / 0.753
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.752
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.750
1pr9 NAPL-xylulose reductase 1.1.1.10 0.750
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.749
4b79 NADProbable short-chain dehydrogenase / 0.747
1w4z NAPPutative ketoacyl reductase 1.3.1 0.746
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.746
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.746
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.745
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.745
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.744
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.743
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.743
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.742
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.741
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.741
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.740
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.740
2jah NDPClavaldehyde dehydrogenase / 0.740
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.740
3sx2 NADUncharacterized protein / 0.740
2p5y NADUDP-glucose 4-epimerase / 0.739
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.739
1sby NADAlcohol dehydrogenase 1.1.1.1 0.738
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.738
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.737
1oaa NAPSepiapterin reductase 1.1.1.153 0.736
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.736
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.736
1xkq NDPUncharacterized protein / 0.735
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.735
3d3w NAPL-xylulose reductase 1.1.1.10 0.735
3icp NADNAD-dependent epimerase/dehydratase / 0.735
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.734
4j7x NAPSepiapterin reductase 1.1.1.153 0.734
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.733
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.733
3mje NDPAmphB / 0.733
1zem NADXylitol dehydrogenase / 0.732
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.730
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.730
4hwk NAPSepiapterin reductase 1.1.1.153 0.730
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.729
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.729
3tox NAPPutative oxidoreductase / 0.729
3qrw NDPPutative ketoacyl reductase 1.3.1 0.728
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.727
4bmv NAPShort-chain dehydrogenase / 0.727
5d2e NAPMlnE / 0.727
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.726
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.725
4wec NADShort chain dehydrogenase / 0.725
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.723
3l77 NJPShort-chain alcohol dehydrogenase / 0.722
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.720
2yy7 NADL-threonine dehydrogenase / 0.718
4hxy NDPPlm1 / 0.718
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.717
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.717
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.717
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.715
3f1k NAPUncharacterized oxidoreductase YciK 1 0.715
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.715
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.714
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.714
4trn NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.714
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.713
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.711
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.711
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.711
4fn4 NADShort chain dehydrogenase / 0.711
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.710
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.710
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.709
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.707
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.707
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.707
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.707
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.706
4b4o NDPEpimerase family protein SDR39U1 / 0.706
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.705
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.705
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.704
4bgi NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.704
4egb NADdTDP-glucose 4,6-dehydratase / 0.704
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.703
3tsc NADUncharacterized protein / 0.703
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.700
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.699
2c20 NADUDP-glucose 4-epimerase / 0.697
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.696
3a9w NADNDP-sugar epimerase / 0.695
3ak4 NADNADH-dependent quinuclidinone reductase / 0.695
4eso NAPPutative oxidoreductase / 0.695
2wsb NADGalactitol dehydrogenase / 0.694
4j7u NAPSepiapterin reductase 1.1.1.153 0.694
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.693
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.693
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.692
3aw9 NADNAD-dependent epimerase/dehydratase / 0.692
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.692
2p5u NADUDP-glucose 4-epimerase / 0.691
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.691
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.690
3ko8 NADNAD-dependent epimerase/dehydratase / 0.690
2bd0 NAPSepiapterin reductase / 0.689
4nd3 NADLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase / 0.689
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.685
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.685
1x7h NDPPutative ketoacyl reductase 1.3.1 0.684
3uce NDPDehydrogenase / 0.684
4yag NAIC alpha-dehydrogenase / 0.683
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.682
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.680
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.679
1ahh NAD7-alpha-hydroxysteroid dehydrogenase 1.1.1.159 0.678
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.678
1rpn NDPGDP-mannose 4,6-dehydratase / 0.677
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.677
1g1a NADdTDP-glucose 4,6-dehydratase / 0.676
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.676
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.674
1i36 NAPConserved protein / 0.674
5lc1 NADL-threonine 3-dehydrogenase / 0.673
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.672
3wmx NADNAD dependent epimerase/dehydratase / 0.672
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.671
4xb2 NDP319aa long hypothetical homoserine dehydrogenase / 0.669
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.668
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.667
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.667
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.667
2dte NAIGlucose 1-dehydrogenase related protein / 0.666
2y05 NAPProstaglandin reductase 1 / 0.666
3h3j NADL-lactate dehydrogenase 1 1.1.1.27 0.666
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.665
4qxm NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.665
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.664
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.664
5ijz NAPNADP-specific glutamate dehydrogenase 1.4.1.4 0.664
1j5p NADL-aspartate dehydrogenase 1.4.1.21 0.663
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.663
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.663
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.663
2cvz NDP3-hydroxyisobutyrate dehydrogenase / 0.662
2z95 NDPGDP-mannose 4,6-dehydratase / 0.662
4n5n NAPAcetoacetyl-CoA reductase 1.1.1.36 0.662
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.661
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.660
3sju NDPKeto reductase / 0.659
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.659
1pzg A3DLactate dehydrogenase / 0.658
3ajr NADNDP-sugar epimerase / 0.658
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.658
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.657
1pzh NADLactate dehydrogenase / 0.657
1yqx NAPSinapyl alcohol dehydrogenase / 0.657
4idg NADPutative UDP-glucose 4-epimerase / 0.657
3d4p NADL-lactate dehydrogenase 1 1.1.1.27 0.656
1t2d NADL-lactate dehydrogenase 1.1.1.27 0.655
3hwr NDP2-dehydropantoate 2-reductase / 0.655
4y1b NAPAntE / 0.655
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.654
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.653
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.652
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.652
3bmo NAPPteridine reductase / 0.651
4nd4 NADLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase / 0.651
1wp4 NDP3-hydroxyisobutyrate dehydrogenase / 0.650
3phj DHKShikimate dehydrogenase (NADP(+)) / 0.650
3tqh NDPQuinone oxidoreductase / 0.650