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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
5d2e NAP MlnE

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
5d2e NAPMlnE / 1.270
4hxy NDPPlm1 / 1.063
3mje NDPAmphB / 0.927
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.887
3uce NDPDehydrogenase / 0.859
3icp NADNAD-dependent epimerase/dehydratase / 0.844
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.842
2p5y NADUDP-glucose 4-epimerase / 0.837
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.832
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.831
3p19 NDPPutative blue fluorescent protein / 0.823
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.817
3l77 NJPShort-chain alcohol dehydrogenase / 0.816
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.815
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.813
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.813
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.811
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.811
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.810
2c29 NAPDihydroflavonol 4-reductase / 0.808
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.807
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.801
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.797
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.796
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.796
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.796
3aw9 NADNAD-dependent epimerase/dehydratase / 0.793
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.790
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.790
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.787
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.786
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.786
1x7h NDPPutative ketoacyl reductase 1.3.1 0.785
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.781
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.781
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.780
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.780
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.780
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.777
4imp NDPPolyketide synthase extender modules 3-4 / 0.776
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.775
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.775
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.773
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.773
3wds NADNADH-dependent quinuclidinone reductase / 0.773
4dbz NDPPutative ketoacyl reductase 1.3.1 0.771
4kwh NAPReductase homolog / 0.770
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.770
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.768
2jah NDPClavaldehyde dehydrogenase / 0.767
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.766
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.766
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.766
2yut NAPPutative short-chain oxidoreductase / 0.766
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.763
2wsb NADGalactitol dehydrogenase / 0.761
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.761
1rpn NDPGDP-mannose 4,6-dehydratase / 0.760
3d3w NAPL-xylulose reductase 1.1.1.10 0.760
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.758
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.754
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.754
1cyd NDPCarbonyl reductase [NADPH] 2 1.1.1.184 0.752
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.752
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.748
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.748
1orr NADCDP-paratose 2-epimerase / 0.745
1sby NADAlcohol dehydrogenase 1.1.1.1 0.745
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.743
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.741
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.741
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.740
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.740
1zem NADXylitol dehydrogenase / 0.739
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.739
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.739
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.738
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.738
2dte NAIGlucose 1-dehydrogenase related protein / 0.738
3ak4 NADNADH-dependent quinuclidinone reductase / 0.738
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.738
3r3s NADPutative oxidoreductase / 0.737
4egb NADdTDP-glucose 4,6-dehydratase / 0.737
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.737
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.736
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.734
4nbw NADShort-chain dehydrogenase/reductase SDR / 0.731
4u7w NDPMxaA / 0.731
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.730
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.730
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.730
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.727
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.726
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.726
1x7g NAPPutative ketoacyl reductase 1.3.1 0.725
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.725
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.725
1ipe NDPTropinone reductase 2 1.1.1.236 0.724
2bd0 NAPSepiapterin reductase / 0.724
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.724
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.723
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.721
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.721
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.720
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.720
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.719
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.719
3tn7 NJPShort-chain alcohol dehydrogenase / 0.719
2z95 NDPGDP-mannose 4,6-dehydratase / 0.718
3sju NDPKeto reductase / 0.718
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.716
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.716
3u4c NDPNADPH-dependent reductase BacG / 0.716
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.716
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.714
4idg NADPutative UDP-glucose 4-epimerase / 0.714
4b79 NADProbable short-chain dehydrogenase / 0.713
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.713
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.712
2z1m NDPGDP-mannose 4,6-dehydratase / 0.712
3qrw NDPPutative ketoacyl reductase 1.3.1 0.712
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.710
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.710
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.709
4b4o NDPEpimerase family protein SDR39U1 / 0.709
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.708
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.708
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.707
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.707
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.707
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.706
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.705
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.705
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.705
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.704
3a1n NADNDP-sugar epimerase / 0.703
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.703
4j7x NAPSepiapterin reductase 1.1.1.153 0.703
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.701
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.701
3orf NADDihydropteridine reductase 1.5.1.34 0.701
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.700
4bms NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.700
4eso NAPPutative oxidoreductase / 0.700
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.699
4j7u NAPSepiapterin reductase 1.1.1.153 0.699
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.698
3ai3 NDPNADPH-sorbose reductase / 0.697
4qec NAPElxO / 0.697
4wec NADShort chain dehydrogenase / 0.697
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.696
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.696
2b35 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.696
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.696
3f1k NAPUncharacterized oxidoreductase YciK 1 0.695
3o26 NDPSalutaridine reductase / 0.695
4xyb NDPFormate dehydrogenase / 0.695
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.694
5j23 A2RPutative 2-hydroxyacid dehydrogenase / 0.694
2y99 NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase 1.3.1.56 0.692
1ae1 NAPTropinone reductase 1 / 0.691
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.691
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.691
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.691
4yai NAIC alpha-dehydrogenase / 0.691
1oaa NAPSepiapterin reductase 1.1.1.153 0.690
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.690
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.690
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.690
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.688
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.688
4bmv NAPShort-chain dehydrogenase / 0.688
5b1y NDP3-oxoacyl-[acyl-carrier-protein] reductase / 0.688
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.688
1i3l NADUDP-glucose 4-epimerase / 0.686
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.686
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.686
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.685
3a4v NADNDP-sugar epimerase / 0.684
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.684
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.683
1u31 NDPNAD(P) transhydrogenase, mitochondrial 1.6.1.2 0.683
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.683
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.683
3bmo NAPPteridine reductase / 0.683
1pr9 NAPL-xylulose reductase 1.1.1.10 0.682
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.682
4l4x NDPAmphI / 0.682
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.681
4qed NAPElxO / 0.681
5jla NADPutative short-chain dehydrogenase/reductase / 0.681
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.680
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.680
1eny NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.679
3ai2 NDPNADPH-sorbose reductase / 0.678
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.678
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.678
1g1a NADdTDP-glucose 4,6-dehydratase / 0.676
2idz ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.676
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.676
4hwk NAPSepiapterin reductase 1.1.1.153 0.676
5lc1 NADL-threonine 3-dehydrogenase / 0.676
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.675
1nfr NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.674
2vwh NAPGlucose 1-dehydrogenase / 0.674
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.674
5aq1 NDPGlucose-6-phosphate 1-dehydrogenase / 0.674
1djl NAPNAD(P) transhydrogenase, mitochondrial 1.6.1.2 0.672
2ie0 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.672
3ajr NADNDP-sugar epimerase / 0.672
3tox NAPPutative oxidoreductase / 0.672
1d4o NAPNAD(P) transhydrogenase, mitochondrial / 0.670
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.670
4oxy NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.670
3a9w NADNDP-sugar epimerase / 0.669
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.668
1e5q NDPSaccharopine dehydrogenase [NADP(+), L-glutamate-forming] 1.5.1.10 0.667
2v6g NAP3-oxo-Delta(4,5)-steroid 5-beta-reductase / 0.667
4fn4 NADShort chain dehydrogenase / 0.667
1zh8 NAPUncharacterized protein / 0.666
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.666
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.666
1w4z NAPPutative ketoacyl reductase 1.3.1 0.665
1wvg APRCDP-glucose 4,6-dehydratase 4.2.1.45 0.664
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.664
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.663
4qxm NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.663
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.661
4hfm NAP2-alkenal reductase (NADP(+)-dependent) / 0.661
5jyd NADShort chain dehydrogenase / 0.661
1bsv NDPGDP-L-fucose synthase / 0.660
2ydx NAPMethionine adenosyltransferase 2 subunit beta / 0.660
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.659
3sx2 NADUncharacterized protein / 0.659
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.658
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.658
3d4p NADL-lactate dehydrogenase 1 1.1.1.27 0.657
4wji NAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase / 0.657
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.656
2p5u NADUDP-glucose 4-epimerase / 0.656
1pno NAPNAD(P) transhydrogenase subunit beta 1.6.1.2 0.655
3baz NAPHydroxyphenylpyruvate reductase 1.1.1.237 0.655
1lua NAPBifunctional protein MdtA 1.5.1.5 0.654
2ag5 NAD3-hydroxybutyrate dehydrogenase type 2 / 0.654
4n5n NAPAcetoacetyl-CoA reductase 1.1.1.36 0.654
1enz NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.653
2jl1 NAPTriphenylmethane reductase / 0.653
2wdz NADGalactitol dehydrogenase / 0.653
2y05 NAPProstaglandin reductase 1 / 0.653
3wsw NADL-lactate dehydrogenase / 0.653
2nv6 ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.652
2yy7 NADL-threonine dehydrogenase / 0.652
3i6i NDPPutative leucoanthocyanidin reductase 1 / 0.652
4id9 NADPutative UDP-glucose 4-epimerase / 0.652
4j1t NAPNAD(P) transhydrogenase subunit beta / 0.652
2gq3 COAMalate synthase G / 0.651
4dqu NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.651
1iy8 NADLevodione reductase / 0.650
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.650
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.650