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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
2q1u NAD Putative nucleotide sugar epimerase/ dehydratase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
2q1u NADPutative nucleotide sugar epimerase/ dehydratase / 1.384
2q1s NAIPutative nucleotide sugar epimerase/ dehydratase / 1.324
2q1t NADPutative nucleotide sugar epimerase/ dehydratase / 1.298
2pzj NADPutative nucleotide sugar epimerase/ dehydratase / 1.267
2p5y NADUDP-glucose 4-epimerase / 1.001
3icp NADNAD-dependent epimerase/dehydratase / 0.996
3ko8 NADNAD-dependent epimerase/dehydratase / 0.970
3ruf NADUDP-N-acetylglucosamine 4-epimerase / 0.960
4gll NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.931
3rua NADUDP-N-acetylglucosamine 4-epimerase / 0.930
1kvr NADUDP-glucose 4-epimerase 5.1.3.2 0.923
2b69 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.910
3ru9 NADUDP-N-acetylglucosamine 4-epimerase / 0.906
4lk3 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.901
3lu1 NADUDP-N-acetylglucosamine 4-epimerase / 0.899
1i3l NADUDP-glucose 4-epimerase / 0.898
4hxy NDPPlm1 / 0.895
3ehe NADUDP-glucose 4-epimerase (GalE-1) / 0.892
3sxp NADADP-L-glycero-D-mannoheptose-6-epimerase / 0.890
3aw9 NADNAD-dependent epimerase/dehydratase / 0.885
1nah NADUDP-glucose 4-epimerase 5.1.3.2 0.884
1orr NADCDP-paratose 2-epimerase / 0.882
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.876
2q1w NADPutative nucleotide sugar epimerase/ dehydratase / 0.874
4fc7 NAPPeroxisomal 2,4-dienoyl-CoA reductase 1.3.1.34 0.872
2d1y NADOxidoreductase, short-chain dehydrogenase/reductase family / 0.862
2c59 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.857
3pgx NADUncharacterized NAD-dependent oxidoreductase MAP_4146 / 0.856
4lis NADUDP-glucose 4-epimerase (Eurofung) / 0.852
3rud NADUDP-N-acetylglucosamine 4-epimerase / 0.848
3ruh NADUDP-N-acetylglucosamine 4-epimerase / 0.845
3ruc NADUDP-N-acetylglucosamine 4-epimerase / 0.842
2c54 NADGDP-mannose 3,5-epimerase 5.1.3.18 0.840
4twr NADNAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase / 0.833
2c29 NAPDihydroflavonol 4-reductase / 0.827
3mje NDPAmphB / 0.824
5d2e NAPMlnE / 0.815
2c20 NADUDP-glucose 4-epimerase / 0.814
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.811
4m55 NADUDP-glucuronic acid decarboxylase 1 4.1.1.35 0.809
1nai NADUDP-glucose 4-epimerase 5.1.3.2 0.806
2x6t NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.804
4idg NADPutative UDP-glucose 4-epimerase / 0.803
1g6k NADGlucose 1-dehydrogenase 1.1.1.47 0.798
1rkx NADCDP-D-glucose-4,6-dehydratase / 0.797
3aut NAIGlucose 1-dehydrogenase 4 1.1.1.47 0.795
4u7w NDPMxaA / 0.790
2wyv NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.789
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.783
1rwb NADGlucose 1-dehydrogenase 1.1.1.47 0.783
2p5u NADUDP-glucose 4-epimerase / 0.781
3ijr NADOxidoreductase, short chain dehydrogenase/reductase family / 0.779
3sx2 NADUncharacterized protein / 0.779
3h4v NAPPteridine reductase 1 1.5.1.33 0.773
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.769
1e6w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.768
4j7x NAPSepiapterin reductase 1.1.1.153 0.767
2dte NAIGlucose 1-dehydrogenase related protein / 0.763
3s55 NADPutative short-chain dehydrogenase/reductase / 0.763
1g1a NADdTDP-glucose 4,6-dehydratase / 0.761
1n5d NDPCarbonyl reductase [NADPH] 1 / 0.759
1gee NADGlucose 1-dehydrogenase 1.1.1.47 0.758
1zem NADXylitol dehydrogenase / 0.756
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.755
4k6f NAPPutative Acetoacetyl-CoA reductase / 0.753
2o23 NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.751
2dkn NAI3-alpha-hydroxysteroid dehydrogenase / 0.749
1t2a NDPGDP-mannose 4,6 dehydratase 4.2.1.47 0.748
3wds NADNADH-dependent quinuclidinone reductase / 0.748
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.747
4yuz S4MSpermidine synthase, putative / 0.747
1e3s NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.746
2yut NAPPutative short-chain oxidoreductase / 0.746
1u7t TDT3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.745
1nff NAD3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase 1.1.1.53 0.743
3o03 NAPDehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) / 0.743
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.743
2x86 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.742
3bmo NAPPteridine reductase / 0.742
4b79 NADProbable short-chain dehydrogenase / 0.742
2ggs NDPdTDP-4-dehydrorhamnose reductase / 0.741
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.741
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.740
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.739
5jyd NADShort chain dehydrogenase / 0.737
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.736
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.735
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.734
3wmx NADNAD dependent epimerase/dehydratase / 0.734
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.731
1sny NAPLD36273p / 0.731
2ntj P1HEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.731
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.729
3a9w NADNDP-sugar epimerase / 0.728
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.728
4nbt NAD3-oxoacyl-[acyl-carrier-protein] reductase / 0.727
2pk3 A2RGDP-6-deoxy-D-mannose reductase / 0.726
4dmm NAP3-oxoacyl-[acyl-carrier-protein] reductase / 0.725
4fj2 NAP17beta-hydroxysteroid dehydrogenase / 0.724
3rj9 NADAlcohol dehydrogenase 1.1.1.1 0.723
4egb NADdTDP-glucose 4,6-dehydratase / 0.723
5cpb NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.723
2gn8 NAPUDP-N-acetylglucosamine 4,6-dehydratase (inverting) 4.2.1.115 0.722
2hrb NAPCarbonyl reductase [NADPH] 3 1.1.1.184 0.722
2z1m NDPGDP-mannose 4,6-dehydratase / 0.722
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.722
1wvg APRCDP-glucose 4,6-dehydratase 4.2.1.45 0.721
2aqh NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.720
4nec SAHPutative SAM-dependent methyltransferase / 0.717
4zju NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.717
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.716
3gwz SAHMitomycin biosynthesis 6-O-methyltransferase / 0.716
3qwf NAP17beta-hydroxysteroid dehydrogenase / 0.716
3sj7 NDP3-oxoacyl-(Acyl-carrier-protein) reductase, putative / 0.716
4nbu NAI3-oxoacyl-(Acyl-carrier-protein) reductase / 0.716
1rpn NDPGDP-mannose 4,6-dehydratase / 0.715
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.715
3rue NADUDP-N-acetylglucosamine 4-epimerase / 0.715
4yv2 S4MSpermidine synthase, putative / 0.715
3a4v NADNDP-sugar epimerase / 0.714
1vl8 NAPOxidoreductase, short chain dehydrogenase/reductase family / 0.713
3o26 NDPSalutaridine reductase / 0.713
1kc1 NDPdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.712
3qvx NADMyo-inositol-1-phosphate synthase (Ino1) / 0.711
4qec NAPElxO / 0.711
1bxk NADdTDP-glucose 4,6-dehydratase 2 / 0.710
1mg5 NAIAlcohol dehydrogenase 1.1.1.1 0.709
2aq8 NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.709
2o06 MTASpermidine synthase 2.5.1.16 0.707
4imp NDPPolyketide synthase extender modules 3-4 / 0.707
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.706
3gy0 NAPNAD(P)-dependent oxidoreductase / 0.706
3r3s NADPutative oxidoreductase / 0.706
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.705
2hun NAD336aa long hypothetical dTDP-glucose 4,6-dehydratase / 0.704
4b4o NDPEpimerase family protein SDR39U1 / 0.704
2ixa NADAlpha-N-acetylgalactosaminidase 3.2.1.49 0.703
4is3 NAD3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 1.17.98.1 0.703
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.702
3go4 SAHUncharacterized protein / 0.701
3oew NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.701
2wsb NADGalactitol dehydrogenase / 0.700
4o0l NDPNADPH-dependent 3-quinuclidinone reductase / 0.700
5lc1 NADL-threonine 3-dehydrogenase / 0.700
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.698
4kwh NAPReductase homolog / 0.698
4yv0 S4MSpermidine synthase, putative / 0.698
3ak4 NADNADH-dependent quinuclidinone reductase / 0.696
1qyv NAPEstradiol 17-beta-dehydrogenase 1 1.1.1.62 0.695
1sby NADAlcohol dehydrogenase 1.1.1.1 0.694
2qe6 SAMUncharacterized protein / 0.693
4yag NAIC alpha-dehydrogenase / 0.693
2bgm NAJSecoisolariciresinol dehydrogenase 1.1.1.331 0.692
2dt5 NADRedox-sensing transcriptional repressor Rex / 0.692
2ntv P1HEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.692
2yqz SAMUncharacterized protein / 0.692
3ai3 NDPNADPH-sorbose reductase / 0.692
1xq6 NAPUncharacterized protein At5g02240 / 0.691
1b15 NAEAlcohol dehydrogenase 1.1.1.1 0.689
2gs9 SAHUncharacterized protein / 0.689
1h6a NDPGlucose--fructose oxidoreductase 1.1.99.28 0.688
4bii NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.688
4eue NAITrans-2-enoyl-CoA reductase [NADH] / 0.688
3uce NDPDehydrogenase / 0.687
4dbz NDPPutative ketoacyl reductase 1.3.1 0.687
1rjd SAMLeucine carboxyl methyltransferase 1 2.1.1.233 0.686
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.686
4i5e NAPAlclohol dehydrogenase/short-chain dehydrogenase / 0.686
5koi NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.686
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.685
3of2 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.685
5bp9 SAHPutative methyltransferase protein / 0.685
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.684
2aqi NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.684
3ou6 SAMSAM-dependent methyltransferase / 0.684
3uxy NADShort-chain dehydrogenase/reductase SDR / 0.684
4id9 NADPutative UDP-glucose 4-epimerase / 0.684
2b4q NAPRhamnolipids biosynthesis 3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.683
3mht SAHModification methylase HhaI 2.1.1.37 0.683
2c31 ADPOxalyl-CoA decarboxylase 4.1.1.8 0.682
3orf NADDihydropteridine reductase 1.5.1.34 0.682
1nbh SAMGlycine N-methyltransferase 2.1.1.20 0.681
2hmv ADPKtr system potassium uptake protein A / 0.681
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.681
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.681
4wec NADShort chain dehydrogenase / 0.681
1x7h NDPPutative ketoacyl reductase 1.3.1 0.680
2ztu NADD(-)-3-hydroxybutyrate dehydrogenase / 0.680
3v97 SAHRibosomal RNA large subunit methyltransferase K/L 2.1.1.173 0.680
4cql NADEstradiol 17-beta-dehydrogenase 8 1.1.1.62 0.680
4hbg NDP3-oxoacyl-[acyl-carrier-protein] reductase 1.1.1.100 0.680
4qed NAPElxO / 0.680
2b36 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.679
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.679
5jy1 NADPutative short-chain dehydrogenase/reductase / 0.679
3lcc SAHThiocyanate methyltransferase 1 / 0.678
1c1d NAIPhenylalanine dehydrogenase / 0.677
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.677
3q2k NAIProbable oxidoreductase / 0.677
3uic NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.677
1geg NADDiacetyl reductase [(S)-acetoin forming] 1.1.1.304 0.676
4yai NAIC alpha-dehydrogenase / 0.676
1bc5 SAHChemotaxis protein methyltransferase 2.1.1.80 0.675
2b37 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.674
2o07 MTASpermidine synthase 2.5.1.16 0.674
2g1p SAHDNA adenine methylase 2.1.1.72 0.673
3a1n NADNDP-sugar epimerase / 0.672
4m87 NADEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.672
1rje SAHLeucine carboxyl methyltransferase 1 2.1.1.233 0.671
2ixb NADAlpha-N-acetylgalactosaminidase 3.2.1.49 0.671
3ou2 SAHSAM-dependent methyltransferase / 0.671
1p44 NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.670
2ztv NADD(-)-3-hydroxybutyrate dehydrogenase / 0.670
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.669
3bwc SAMSpermidine synthase, putative / 0.669
3lfz ADPUncharacterized protein MJ1225 / 0.669
3ou7 SAMSAM-dependent methyltransferase / 0.669
3qvw NADMyo-inositol-1-phosphate synthase (Ino1) / 0.669
3u4c NDPNADPH-dependent reductase BacG / 0.669
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.669
5bt9 NAP3-oxoacyl-(Acyl-carrier-protein) reductase / 0.669
3f1k NAPUncharacterized oxidoreductase YciK 1 0.668
4j7u NAPSepiapterin reductase 1.1.1.153 0.668
1ptj SNDNAD(P) transhydrogenase subunit alpha part 1 1.6.1.2 0.667
2yw9 NAPEnoyl-[acyl-carrier-protein] reductase [NADH] / 0.667
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.666
4e5y NDPGDP-L-fucose synthase 1.1.1.271 0.666
1i6l TYMTryptophan--tRNA ligase 6.1.1.2 0.665
1iy8 NADLevodione reductase / 0.665
3fpf MTAUncharacterized protein / 0.665
4yuv S4MSpermidine synthase, putative / 0.664
1bws NDPGDP-L-fucose synthase / 0.663
1p1h NADInositol-3-phosphate synthase 5.5.1.4 0.663
1u8x NADMaltose-6'-phosphate glucosidase 3.2.1.122 0.663
1w73 NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.663
2vhz NAIAlanine dehydrogenase 1.4.1.1 0.663
4c7k NAPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.663
4clo NAPPteridine reductase / 0.663
4dre NAIEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.663
4l4s NAIL-lactate dehydrogenase A chain 1.1.1.27 0.663
1u7t NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.662
1h6c NDPGlucose--fructose oxidoreductase 1.1.99.28 0.661
5ccx SAHtRNA (adenine(58)-N(1))-methyltransferase catalytic subunit TRMT61A 2.1.1.220 0.661
3a25 SAMtRNA(Phe) (4-demethylwyosine(37)-C(7)) aminocarboxypropyltransferase / 0.660
3rfx NADUronate dehydrogenase / 0.660
4dcm SAMRibosomal RNA large subunit methyltransferase G 2.1.1.174 0.660
4e2x SAHMethyltransferase / 0.660
4rdi ATPtRNA threonylcarbamoyladenosine dehydratase 6.1 0.660
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.659
2ieb ZIDEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.659
2yy7 NADL-threonine dehydrogenase / 0.659
3ai2 NDPNADPH-sorbose reductase / 0.659
3rku NAPNADP-dependent 3-hydroxy acid dehydrogenase / 0.659
3tsc NADUncharacterized protein / 0.659
1qzz SAMAclacinomycin 10-hydroxylase RdmB 4.1.1 0.658
3ldg SAHUncharacterized protein / 0.658
3qvs NADMyo-inositol-1-phosphate synthase (Ino1) / 0.658
4qnu GEKtRNA U34 carboxymethyltransferase / 0.658
1fxs NAPGDP-L-fucose synthase / 0.657
2bfo NDPPteridine reductase 1 1.5.1.33 0.657
1fk8 NAD3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase 1.1.1.50 0.656
2q4b NAPUncharacterized protein At5g02240 / 0.656
4y9d NAIC alpha-dehydrogenase / 0.656
2pv7 NADT-protein 1.3.1.12 0.655
3wfj NAD2-dehydropantoate 2-reductase / 0.655
3p19 NDPPutative blue fluorescent protein / 0.654
4nd4 NADLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase / 0.654
3iup NDPPossible NADH oxidoreductase / 0.653
1yqd NAPSinapyl alcohol dehydrogenase / 0.652
4iqg NAPShort-chain dehydrogenase/reductase SDR / 0.652
5a1t NAIL-lactate dehydrogenase / 0.652
1o8c NDPProbable acrylyl-CoA reductase AcuI 1.3.1.84 0.651
1w8d NAP2,4-dienoyl-CoA reductase, mitochondrial 1.3.1.34 0.651
2bm9 SAMCephalosporin hydroxylase CmcI / 0.651
1oaa NAPSepiapterin reductase 1.1.1.153 0.650
2bja NAD1-pyrroline-5-carboxylate dehydrogenase / 0.650
3ndr NADPyridoxal 4-dehydrogenase 1.1.1.107 0.650
3tri NAPPyrroline-5-carboxylate reductase / 0.650
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.650