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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
2q1s NAI Putative nucleotide sugar epimerase/ dehydratase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 1.476
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 1.332
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 1.324
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 1.268
2p5y NADUDP-glucose 4-epimerase / 0.957
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.947
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.939
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.934
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.933
1orr NADCDP-paratose 2-epimerase / 0.930
3ko8 NADNAD-dependent epimerase/dehydratase / 0.929
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.925
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.916
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.909
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.904
3icp NADNAD-dependent epimerase/dehydratase / 0.901
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.901
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.897
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.892
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.874
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.873
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.869
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.869
1i3l NADUDP-glucose 4-epimerase / 0.860
3aw9 NADNAD-dependent epimerase/dehydratase / 0.855
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.847
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.845
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.844
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.829
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.820
2c20 NADUDP-glucose 4-epimerase / 0.819
4m55 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.814
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.809
2p5u NADUDP-glucose 4-epimerase / 0.798
4ej0 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.792
3s55 NADPutative short-chain dehydrogenase/reductase / 0.789
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.787
4u7w NDPMxaA / 0.787
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.776
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.773
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.773
2c29 NAPDihydroflavonol 4-reductase / 0.772
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.770
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.769
1zem NADXylitol dehydrogenase / 0.767
5d2e NAPMlnE / 0.766
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.764
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.763
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.762
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.762
3wds NADNADH-dependent quinuclidinone reductase / 0.762
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.762
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.761
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.760
4j7x NAPSepiapterin reductase 1.1.1.153 0.760
1g1a NADdTDP-glucose 4,6-dehydratase / 0.758
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.758
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.758
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.756
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.756
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.755
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.755
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.752
4yag NAIC alpha-dehydrogenase / 0.752
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.749
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.748
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.747
4yuz S4MSpermidine synthase, putative / 0.747
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.745
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.744
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.743
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.743
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.741
3a9w NADNDP-sugar epimerase / 0.741
3r3s NADPutative oxidoreductase / 0.741
4kwh NAPReductase homolog / 0.741
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.739
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.738
2z1m NDPGDP-mannose 4,6-dehydratase / 0.738
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.737
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.737
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.736
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.736
1sny NAPLD36273p / 0.736
4b79 NADProbable short-chain dehydrogenase / 0.736
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.736
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.733
2yut NAPPutative short-chain oxidoreductase / 0.733
4idg NADPutative UDP-glucose 4-epimerase / 0.733
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.732
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.732
4id9 NADPutative UDP-glucose 4-epimerase / 0.732
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.731
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.731
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.731
3ak4 NADNADH-dependent quinuclidinone reductase / 0.730
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.730
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.727
3oa2 NADUDP-N-acetyl-2-amino-2-deoxy-D-glucuronate oxidase / 0.726
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.726
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.725
3o26 NDPSalutaridine reductase / 0.720
3orf NADDihydropteridine reductase 1.5.1.34 0.720
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.719
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.719
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.718
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.716
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.716
5lc1 NADL-threonine 3-dehydrogenase / 0.716
2yy7 NADL-threonine dehydrogenase / 0.715
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.714
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.714
5jyd NADShort chain dehydrogenase / 0.714
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.713
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.712
1kc1 NDPdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.711
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.711
3uce NDPDehydrogenase / 0.711
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.711
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.708
3bmo NAPPteridine reductase / 0.705
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.704
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.702
3p19 NDPPutative blue fluorescent protein / 0.701
1rpn NDPGDP-mannose 4,6-dehydratase / 0.700
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.700
4yv2 S4MSpermidine synthase, putative / 0.700
1oaa NAPSepiapterin reductase 1.1.1.153 0.699
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.699
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.699
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.698
4qec NAPElxO / 0.698
4yv0 S4MSpermidine synthase, putative / 0.698
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.696
3rfx NADUronate dehydrogenase / 0.695
4j7u NAPSepiapterin reductase 1.1.1.153 0.695
1vjt NADAlpha-glucosidase, putative / 0.694
2yqz SAMUncharacterized protein / 0.694
4o29 SAHProtein-L-isoaspartate O-methyltransferase / 0.694
1bc5 SAHChemotaxis protein methyltransferase 2.1.1.80 0.693
2z95 NDPGDP-mannose 4,6-dehydratase / 0.693
2o06 MTASpermidine synthase 2.5.1.16 0.691
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.691
1x7g NAPPutative ketoacyl reductase 1.3.1 0.690
4nec SAHPutative SAM-dependent methyltransferase / 0.690
4y9d NAIC alpha-dehydrogenase / 0.688
1rje SAHLeucine carboxyl methyltransferase 1 2.1.1.233 0.687
4imp NDPPolyketide synthase extender modules 3-4 / 0.687
1h6d NDPGlucose--fructose oxidoreductase 1.1.99.28 0.686
3bwc SAMSpermidine synthase, putative / 0.686
3go4 SAHUncharacterized protein / 0.686
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.684
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.684
2pr2 DG1Enoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.683
3wv8 ATPHmd co-occurring protein HcgE / 0.683
1pr9 NAPL-xylulose reductase 1.1.1.10 0.682
3geg NADShort-chain dehydrogenase/reductase SDR / 0.682
4fw8 NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.682
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.682
4xgi NADGlutamate dehydrogenase / 0.682
1y8q ATPSUMO-activating enzyme subunit 2 6.3.2 0.681
3mje NDPAmphB / 0.681
3qvx NADMyo-inositol-1-phosphate synthase (Ino1) / 0.681
4wec NADShort chain dehydrogenase / 0.681
1iy8 NADLevodione reductase / 0.680
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.680
2dt5 NADRedox-sensing transcriptional repressor Rex / 0.680
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.680
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.679
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.679
1xq6 NAPUncharacterized protein At5g02240 / 0.678
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.678
3q2k NAIProbable oxidoreductase / 0.677
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.677
1c1d NAIPhenylalanine dehydrogenase / 0.676
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.676
2hmv ADPKtr system potassium uptake protein A / 0.676
5ccx SAHtRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRMT61A 2.1.1.220 0.676
1bvr NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.675
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.674
1h6c NDPGlucose--fructose oxidoreductase 1.1.99.28 0.673
3ai3 NDPNADPH-sorbose reductase / 0.673
1b16 NAQAlcohol dehydrogenase 1.1.1.1 0.672
1h6a NDPGlucose--fructose oxidoreductase 1.1.99.28 0.672
2h9i EADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.672
2nq8 ZIDEnoyl-ACP reductase / 0.672
4yai NAIC alpha-dehydrogenase / 0.671
3qvs NADMyo-inositol-1-phosphate synthase (Ino1) / 0.670
3qvw NADMyo-inositol-1-phosphate synthase (Ino1) / 0.670
4xd2 NAIAlcohol dehydrogenase E chain 1.1.1.1 0.670
5a02 NAPGlucose-fructose oxidoreductase / 0.670
1het NADAlcohol dehydrogenase E chain 1.1.1.1 0.669
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.669
2gsd NADFormate dehydrogenase / 0.669
2pv7 NADT-protein 1.3.1.12 0.669
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.669
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.668
1ie3 NADMalate dehydrogenase / 0.667
4yr9 NADL-threonine 3-dehydrogenase, mitochondrial 1.1.1.103 0.667
1i6l TYMTryptophan--tRNA ligase 6.1.1.2 0.666
2wsb NADGalactitol dehydrogenase / 0.666
1enp NADEnoyl-[acyl-carrier-protein] reductase [NADH], chloroplastic 1.3.1.9 0.665
4ki0 ANPMaltose/maltodextrin import ATP-binding protein MalK / 0.665
3zqa NDPNAD/NADP-dependent betaine aldehyde dehydrogenase / 0.664
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.663
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.663
4dti NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.663
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.663
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.662
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.662
1uay ADNOxidoreductase / 0.661
3wv7 ADPHmd co-occurring protein HcgE / 0.661
1evj NADGlucose--fructose oxidoreductase 1.1.99.28 0.660
3a25 SAMtRNA(Phe) (4-demethylwyosine(37)-C(7)) aminocarboxypropyltransferase / 0.660
3d3w NAPL-xylulose reductase 1.1.1.10 0.660
4clo NAPPteridine reductase / 0.660
4rvu NDPProbable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein) / 0.660
1jr4 CL4Catechol O-methyltransferase 2.1.1.6 0.659
2ekl NADD-3-phosphoglycerate dehydrogenase / 0.659
3g49 NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.659
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.659
1o6z NADMalate dehydrogenase / 0.658
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.658
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.657
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.657
3ai2 NDPNADPH-sorbose reductase / 0.657
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.656
4dbz NDPPutative ketoacyl reductase 1.3.1 0.656
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.656
1la2 NADInositol-3-phosphate synthase 5.5.1.4 0.655
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.655
3dzv ADPHydroxyethylthiazole kinase / 0.655
3jyq NADQuinate/shikimate dehydrogenase (NAD(+)) / 0.655
4dcm SAMRibosomal RNA large subunit methyltransferase G 2.1.1.174 0.655
5kjc NAJAlcohol dehydrogenase E chain 1.1.1.1 0.655
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.653
1n2i PAJPantothenate synthetase 6.3.2.1 0.653
2vhx NADAlanine dehydrogenase 1.4.1.1 0.653
3dmt NADGlyceraldehyde-3-phosphate dehydrogenase, glycosomal 1.2.1.12 0.653
3lcc SAHThiocyanate methyltransferase 1 / 0.653
1g0n NDPTetrahydroxynaphthalene reductase 1.1.1.252 0.652
2i62 SAHNicotinamide N-methyltransferase 2.1.1.1 0.652
3coy 53HPantothenate synthetase 6.3.2.1 0.652
3qvt NAIMyo-inositol-1-phosphate synthase (Ino1) / 0.652
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.652
4hwk NAPSepiapterin reductase 1.1.1.153 0.652
1x7h NDPPutative ketoacyl reductase 1.3.1 0.651
2a94 AP0L-lactate dehydrogenase 1.1.1.27 0.651
3coz 54HPantothenate synthetase 6.3.2.1 0.651
3jyp NADQuinate/shikimate dehydrogenase (NAD(+)) / 0.651
4qxm NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.651
4rdi ATPtRNA threonylcarbamoyladenosine dehydratase 6.1 0.651
1i6k TYMTryptophan--tRNA ligase 6.1.1.2 0.650
1yqd NAPSinapyl alcohol dehydrogenase / 0.650
4xrg NADHomospermidine synthase 2.5.1.44 0.650