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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
2hun NAD 336aa long hypothetical dTDP-glucose 4,6-dehydratase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 1.238
3ko8 NADNAD-dependent epimerase/dehydratase / 0.916
3icp NADNAD-dependent epimerase/dehydratase / 0.866
1g1a NADdTDP-glucose 4,6-dehydratase / 0.847
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.818
4egb NADdTDP-glucose 4,6-dehydratase / 0.818
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.814
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.813
2wdz NADGalactitol dehydrogenase / 0.808
2p5y NADUDP-glucose 4-epimerase / 0.805
3aw9 NADNAD-dependent epimerase/dehydratase / 0.802
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.801
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.801
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.800
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.799
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.795
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.790
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.787
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.781
2p5u NADUDP-glucose 4-epimerase / 0.778
3a4v NADNDP-sugar epimerase / 0.774
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.771
3wmx NADNAD dependent epimerase/dehydratase / 0.769
2wsb NADGalactitol dehydrogenase / 0.766
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.762
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.761
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.759
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.755
5lc1 NADL-threonine 3-dehydrogenase / 0.755
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.754
3a9w NADNDP-sugar epimerase / 0.752
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.752
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.747
3ai3 NDPNADPH-sorbose reductase / 0.743
4m55 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.743
3s55 NADPutative short-chain dehydrogenase/reductase / 0.741
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.741
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.738
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.738
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.737
4u7w NDPMxaA / 0.734
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.733
1zem NADXylitol dehydrogenase / 0.730
2yy7 NADL-threonine dehydrogenase / 0.727
3ajr NADNDP-sugar epimerase / 0.727
1i3l NADUDP-glucose 4-epimerase / 0.724
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.724
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.722
4yai NAIC alpha-dehydrogenase / 0.721
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.720
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.720
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.718
1pr9 NAPL-xylulose reductase 1.1.1.10 0.717
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.717
1orr NADCDP-paratose 2-epimerase / 0.716
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.714
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 0.711
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.711
4yac NAIC alpha-dehydrogenase / 0.711
4yr9 NADL-threonine 3-dehydrogenase, mitochondrial 1.1.1.103 0.711
1rp0 AHZThiamine thiazole synthase, chloroplastic / 0.710
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.709
2o06 MTASpermidine synthase 2.5.1.16 0.708
3mje NDPAmphB / 0.708
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 0.707
3lsi FADPyranose 2-oxidase / 0.707
3sx2 NADUncharacterized protein / 0.707
4n5n NAPAcetoacetyl-CoA reductase 1.1.1.36 0.707
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.704
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.704
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 0.704
4j7x NAPSepiapterin reductase 1.1.1.153 0.704
2fje FADAdenylylsulfate reductase, subunit A (AprA) / 0.703
4hxy NDPPlm1 / 0.703
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.701
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.701
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.701
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.700
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.700
5d2e NAPMlnE / 0.700
3lzw FADFerredoxin--NADP reductase 2 1.18.1.2 0.699
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.699
2zat NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.698
3orf NADDihydropteridine reductase 1.5.1.34 0.698
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.698
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.698
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.697
2hsd NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.696
3geg NADShort-chain dehydrogenase/reductase SDR / 0.694
3o4r NAPDehydrogenase/reductase SDR family member 4 1.1.1.184 0.693
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.693
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.693
4kwh NAPReductase homolog / 0.693
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 0.692
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.692
3d3w NAPL-xylulose reductase 1.1.1.10 0.691
4fj1 NAP17beta-hydroxysteroid dehydrogenase / 0.691
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.688
4wec NADShort chain dehydrogenase / 0.688
4yv2 S4MSpermidine synthase, putative / 0.688
1jnr FADAdenylylsulfate reductase, subunit A (AprA) / 0.687
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.687
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.686
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.686
3tsc NADUncharacterized protein / 0.686
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.686
1ae1 NAPTropinone reductase 1 / 0.685
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.685
2z95 NDPGDP-mannose 4,6-dehydratase / 0.685
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.685
4idg NADPutative UDP-glucose 4-epimerase / 0.683
3jyq NADQuinate/shikimate dehydrogenase (NAD(+)) / 0.682
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.682
1oaa NAPSepiapterin reductase 1.1.1.153 0.681
4nec SAHPutative SAM-dependent methyltransferase / 0.681
2fkn NADUrocanate hydratase 4.2.1.49 0.680
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.680
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.679
4yuz S4MSpermidine synthase, putative / 0.678
5jla NADPutative short-chain dehydrogenase/reductase / 0.678
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.677
1jki NAIInositol-3-phosphate synthase 5.5.1.4 0.676
2c29 NAPDihydroflavonol 4-reductase / 0.676
3nt2 NADInositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase 1.1.1.18 0.676
2yvl SAMtRNA (adenine(58)-N(1))-methyltransferase TrmI / 0.675
3sju NDPKeto reductase / 0.675
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.673
2yr4 FADPhenylalanine 2-monooxygenase precursor 1.13.12.9 0.673
3jyo NADQuinate/shikimate dehydrogenase (NAD(+)) / 0.673
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.673
3uce NDPDehydrogenase / 0.673
4dbz NDPPutative ketoacyl reductase 1.3.1 0.673
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.672
1wvg APRCDP-glucose 4,6-dehydratase 4.2.1.45 0.672
2q28 ADPOxalyl-CoA decarboxylase 4.1.1.8 0.672
2v7g NADUrocanate hydratase 4.2.1.49 0.672
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.672
5je2 SAHMethyl transferase / 0.672
1y8q ATPSUMO-activating enzyme subunit 2 6.3.2 0.671
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.670
4fj0 NAP17beta-hydroxysteroid dehydrogenase / 0.670
2zth SAMCatechol O-methyltransferase 2.1.1.6 0.669
1fdu NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.668
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.667
3bg7 FADPyranose 2-oxidase / 0.667
3h2s NDPPutative NADH-flavin reductase / 0.667
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.667
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.666
2hmv ADPKtr system potassium uptake protein A / 0.666
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.666
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.666
4yag NAIC alpha-dehydrogenase / 0.666
4id9 NADPutative UDP-glucose 4-epimerase / 0.665
3qrw NDPPutative ketoacyl reductase 1.3.1 0.664
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.664
1gco NADGlucose 1-dehydrogenase 1.1.1.47 0.663
1sny NAPLD36273p / 0.663
2pt6 S4MSpermidine synthase / 0.663
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.663
4yv0 S4MSpermidine synthase, putative / 0.663
2ome NADC-terminal-binding protein 2 / 0.662
4e5n NADPhosphonate dehydrogenase 1.20.1.1 0.662
4qec NAPElxO / 0.662
1ie3 NADMalate dehydrogenase / 0.661
1lsj NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.661
1xse NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.661
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.661
4iv8 SAMPhosphoethanolamine N-methyltransferase,putative / 0.661
4yv1 S4MSpermidine synthase, putative / 0.661
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.661
1gad NADGlyceraldehyde-3-phosphate dehydrogenase A / 0.660
2ji6 ADPOxalyl-CoA decarboxylase 4.1.1.8 0.660
3qv1 NADGlyceraldehyde-3-phosphate dehydrogenase GAPA1, chloroplastic 1.2.1.13 0.660
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.660
2bgl NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.659
4imp NDPPolyketide synthase extender modules 3-4 / 0.659
2q46 NAPUncharacterized protein At5g02240 / 0.657
3ak4 NADNADH-dependent quinuclidinone reductase / 0.657
4p8r NADGlyceraldehyde-3-phosphate dehydrogenase / 0.657
1xq6 NAPUncharacterized protein At5g02240 / 0.656
2yut NAPPutative short-chain oxidoreductase / 0.656
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.656
4xrg NADHomospermidine synthase 2.5.1.44 0.656
2bd0 NAPSepiapterin reductase / 0.655
2ekl NADD-3-phosphoglycerate dehydrogenase / 0.655
3o26 NDPSalutaridine reductase / 0.655
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.655
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.655
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.654
2ore SAHDNA adenine methylase 2.1.1.72 0.654
3kb6 NADD-lactate dehydrogenase / 0.654
3rfx NADUronate dehydrogenase / 0.654
1dxy NADD-2-hydroxyisocaproate dehydrogenase 1.1.1 0.653
1nqa NADGlyceraldehyde-3-phosphate dehydrogenase / 0.653
2c20 NADUDP-glucose 4-epimerase / 0.653
2jah NDPClavaldehyde dehydrogenase / 0.653
3wv8 ATPHmd co-occurring protein HcgE / 0.652
4qed NAPElxO / 0.652
1wy7 SAHUncharacterized protein / 0.651
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.651
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.651
1b14 NADAlcohol dehydrogenase 1.1.1.1 0.650
3k30 ADPHistamine dehydrogenase / 0.650
4e5k NADPhosphonate dehydrogenase 1.20.1.1 0.650
4fn4 NADShort chain dehydrogenase / 0.650