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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
3pef NAP Glyoxalate/3-oxopropanoate/4-oxobutanoate reductase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 1.387
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 1.238
4oqy NDP(S)-imine reductase / 0.898
3zhb NAPPutative dehydrogenase / 0.889
1wp4 NDP3-hydroxyisobutyrate dehydrogenase / 0.868
2cvz NDP3-hydroxyisobutyrate dehydrogenase / 0.845
2i9p NAD3-hydroxyisobutyrate dehydrogenase, mitochondrial 1.1.1.31 0.794
3q3c NADNAD-dependent L-serine dehydrogenase / 0.777
3ing NDPHomoserine dehydrogenase related protein / 0.765
3wfj NAD2-dehydropantoate 2-reductase / 0.763
4xb2 NDP319aa long hypothetical homoserine dehydrogenase / 0.760
2jkv NAP6-phosphogluconate dehydrogenase, decarboxylating 1.1.1.44 0.759
5ein NAP[LysW]-L-2-aminoadipate 6-phosphate reductase / 0.757
3mvq NDPGlutamate dehydrogenase 1, mitochondrial 1.4.1.3 0.745
3w6u NAP6-phosphogluconate dehydrogenase, NAD-binding protein / 0.745
1nvm NADAcetaldehyde dehydrogenase 1.2.1.10 0.743
4xq9 NADHomospermidine synthase 2.5.1.44 0.742
4xqc NADHomospermidine synthase 2.5.1.44 0.739
1c1d NAIPhenylalanine dehydrogenase / 0.738
2iyp NAP6-phosphogluconate dehydrogenase, decarboxylating 1.1.1.44 0.734
1n7h NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.733
3d4p NADL-lactate dehydrogenase 1 1.1.1.27 0.731
4b8z NAPGDP-L-fucose synthase 1.1.1.271 0.731
4xgi NADGlutamate dehydrogenase / 0.731
2yut NAPPutative short-chain oxidoreductase / 0.729
1sny NAPLD36273p / 0.727
3ggp NADPrephenate dehydrogenase / 0.726
3h3j NADL-lactate dehydrogenase 1 1.1.1.27 0.725
4hp8 NAP2-deoxy-D-gluconate 3-dehydrogenase / 0.723
4xrg NADHomospermidine synthase 2.5.1.44 0.722
1u7h NADPutative ornithine cyclodeaminase / 0.720
3f3s NADLambda-crystallin homolog / 0.717
3iah NAPPutative oxoacyl-(Acyl carrier protein) reductase / 0.717
1il0 NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.715
1f0y NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.714
1i2b NADUDP-sulfoquinovose synthase, chloroplastic 3.13.1.1 0.713
2uyy NA7Putative oxidoreductase GLYR1 1 0.711
3keo NADRedox-sensing transcriptional repressor Rex / 0.711
3w8d NAD3-hydroxybutyrate dehydrogenase / 0.711
5cdt NAJAlcohol dehydrogenase E chain 1.1.1.1 0.711
5kj1 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.711
1x7d NADPutative ornithine cyclodeaminase / 0.710
3w8f NAD3-hydroxybutyrate dehydrogenase / 0.708
4dwv NAJAlcohol dehydrogenase E chain 1.1.1.1 0.708
5cds NAJAlcohol dehydrogenase E chain 1.1.1.1 0.708
3oq6 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.707
4plp NADHomospermidine synthase 2.5.1.44 0.707
3hwr NDP2-dehydropantoate 2-reductase / 0.704
4gkv NADAlcohol dehydrogenase, propanol-preferring 1.1.1.1 0.704
4xcv NDPProbable hydroxyacid dehydrogenase protein / 0.704
2ztl NADD(-)-3-hydroxybutyrate dehydrogenase / 0.703
5kcz NAJAlcohol dehydrogenase E chain 1.1.1.1 0.703
2vq3 NAPMetalloreductase STEAP3 / 0.701
5js6 NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.701
3vdq NAD3-hydroxybutyrate dehydrogenase / 0.700
3ulk NDPKetol-acid reductoisomerase (NADP(+)) / 0.699
1kol NADGlutathione-independent formaldehyde dehydrogenase / 0.698
3abi NADUncharacterized protein / 0.698
2ohx NADAlcohol dehydrogenase E chain 1.1.1.1 0.697
3a14 NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.697
4nfh NAJAlcohol dehydrogenase E chain 1.1.1.1 0.697
1u3v NADAlcohol dehydrogenase 1B 1.1.1.1 0.696
2jl1 NAPTriphenylmethane reductase / 0.696
2oxi NADAlcohol dehydrogenase E chain 1.1.1.1 0.696
3w8e NAD3-hydroxybutyrate dehydrogenase / 0.696
4lsm NADGlyceraldehyde-3-phosphate dehydrogenase / 0.696
5cdg NAJAlcohol dehydrogenase E chain 1.1.1.1 0.696
5kjc NAJAlcohol dehydrogenase E chain 1.1.1.1 0.696
1ht0 NADAlcohol dehydrogenase 1C 1.1.1.1 0.695
1lsj NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.695
4dxh NAJAlcohol dehydrogenase E chain 1.1.1.1 0.695
4tqg NDPPutative dTDP-d-glucose 4 6-dehydratase / 0.695
2gdz NAD15-hydroxyprostaglandin dehydrogenase [NAD(+)] 1.1.1.141 0.694
3ras NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.694
5kje NAJAlcohol dehydrogenase E chain 1.1.1.1 0.694
1hld NADAlcohol dehydrogenase E chain 1.1.1.1 0.693
2q2v NADBeta-D-hydroxybutyrate dehydrogenase / 0.692
3ikt NADRedox-sensing transcriptional repressor Rex / 0.692
4dlb NADS-(hydroxymethyl)glutathione dehydrogenase / 0.692
4qec NAPElxO / 0.692
5idw NAPShort-chain dehydrogenase/reductase SDR / 0.691
1lld NADL-lactate dehydrogenase 2 1.1.1.27 0.690
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.690
5bsf NADPyrroline-5-carboxylate reductase / 0.690
1ez4 NADL-lactate dehydrogenase 1.1.1.27 0.689
1hyh NADL-2-hydroxyisocaproate dehydrogenase / 0.689
2dph NADFormaldehyde dismutase / 0.689
4rf2 NAPNADPH dependent R-specific alcohol dehydrogenase / 0.689
2vhv NAIAlanine dehydrogenase 1.4.1.1 0.688
3anl NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase 1.1.1.267 0.688
1lde NADAlcohol dehydrogenase E chain 1.1.1.1 0.687
2ekp NAD2-deoxy-D-gluconate 3-dehydrogenase / 0.687
1i36 NAPConserved protein / 0.686
3tnl NADShikimate dehydrogenase (NADP(+)) / 0.686
4z3d NDPCarbonyl reductase [NADPH] 1 1.1.1.184 0.686
1o9b NAIQuinate/shikimate dehydrogenase / 0.685
3nug NADPyridoxal 4-dehydrogenase 1.1.1.107 0.685
3pvz NADUDP-N-acetylglucosamine 4,6-dehydratase / 0.685
4o59 NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.685
1e5q NDPSaccharopine dehydrogenase [NADP(+), L-glutamate-forming] 1.5.1.10 0.683
2rbe NDPCorticosteroid 11-beta-dehydrogenase isozyme 1 1.1.1.146 0.683
4p8r NADGlyceraldehyde-3-phosphate dehydrogenase / 0.683
4xr9 NADCalS8 / 0.683
5aq1 NDPGlucose-6-phosphate 1-dehydrogenase / 0.683
2vyv NADGlyceraldehyde-3-phosphate dehydrogenase A / 0.682
5ijz NAPNADP-specific glutamate dehydrogenase 1.4.1.4 0.682
1q0q NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase 1.1.1.267 0.681
1yb5 NAPQuinone oxidoreductase 1.6.5.5 0.681
2g82 NADGlyceraldehyde-3-phosphate dehydrogenase / 0.681
2o4c NADErythronate-4-phosphate dehydrogenase / 0.681
5kj6 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.681
1b2l NDCAlcohol dehydrogenase 1.1.1.1 0.680
3tri NAPPyrroline-5-carboxylate reductase / 0.680
4dc0 NDPPutative ketoacyl reductase 1.3.1 0.680
5bsg NAPPyrroline-5-carboxylate reductase / 0.680
5eio NAP[LysW]-L-2-aminoadipate 6-phosphate reductase / 0.680
1edo NAP3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic 1.1.1.100 0.679
1yjq NAP2-dehydropantoate 2-reductase 1.1.1.169 0.679
2voj NADAlanine dehydrogenase 1.4.1.1 0.679
3zdf NADGlyceraldehyde-3-phosphate dehydrogenase / 0.679
4oaq NDPR-specific carbonyl reductase / 0.679
5kcp NAJAlcohol dehydrogenase E chain 1.1.1.1 0.679
1xg5 NAPDehydrogenase/reductase SDR family member 11 / 0.678
3bhi NAPCarbonyl reductase [NADPH] 1 1.1.1.184 0.678
5a02 NAPGlucose-fructose oxidoreductase / 0.678
5jsf NAD17-beta-hydroxysteroid dehydrogenase 14 1.1.1 0.678
5lc1 NADL-threonine 3-dehydrogenase / 0.678
4b79 NADProbable short-chain dehydrogenase / 0.677
4ng5 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.677
5a9s NAPPutative dehydrogenase / 0.677
4dpl NAPMalonyl-CoA reductase 1.2.1.75 0.676
5kjf NAJAlcohol dehydrogenase E chain 1.1.1.1 0.676
1hsz NADAlcohol dehydrogenase 1B 1.1.1.1 0.675
1nqo NADGlyceraldehyde-3-phosphate dehydrogenase / 0.675
1pjc NADAlanine dehydrogenase / 0.675
2vhx NADAlanine dehydrogenase 1.4.1.1 0.675
2yy7 NADL-threonine dehydrogenase / 0.675
3b1j NADGlyceraldehyde-3-phosphate dehydrogenase / 0.675
3tn7 NJPShort-chain alcohol dehydrogenase / 0.675
4nfs NAJAlcohol dehydrogenase E chain 1.1.1.1 0.675
1yqx NAPSinapyl alcohol dehydrogenase / 0.674
3o26 NDPSalutaridine reductase / 0.674
4tvb NADHomospermidine synthase 2.5.1.44 0.674
5dul NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.674
1zh8 NAPUncharacterized protein / 0.673
3keq NADRedox-sensing transcriptional repressor Rex / 0.673
4gh5 NADShort-chain dehydrogenase/reductase SDR / 0.673
5a04 NDPGlucose-fructose oxidoreductase / 0.673
6adh NADAlcohol dehydrogenase E chain 1.1.1.1 0.673
1m75 NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.672
2ixa NADAlpha-N-acetylgalactosaminidase 3.2.1.49 0.672
2q2q NADBeta-D-hydroxybutyrate dehydrogenase / 0.672
4fn4 NADShort chain dehydrogenase / 0.672
1h6c NDPGlucose--fructose oxidoreductase 1.1.99.28 0.671
1nq5 NADGlyceraldehyde-3-phosphate dehydrogenase / 0.671
1x7g NAPPutative ketoacyl reductase 1.3.1 0.671
3cin NADMyo-inositol-1-phosphate synthase-related protein / 0.671
1m76 NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.670
1u8f NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.670
3ngl NAPBifunctional protein FolD / 0.670
4b8w NAPGDP-L-fucose synthase 1.1.1.271 0.670
1ipe NDPTropinone reductase 2 1.1.1.236 0.669
1lua NAPBifunctional protein MdtA 1.5.1.5 0.668
3mje NDPAmphB / 0.668
4j7x NAPSepiapterin reductase 1.1.1.153 0.668
4pvd NDPNADPH-dependent methylglyoxal reductase GRE2 / 0.668
1axe NADAlcohol dehydrogenase E chain 1.1.1.1 0.667
1qr6 NADNAD-dependent malic enzyme, mitochondrial 1.1.1.38 0.667
3ggo NAIPrephenate dehydrogenase / 0.667
3m2t NADProbable dehydrogenase / 0.667
4z0p NDPNAD-dependent dehydrogenase / 0.667
1h6a NDPGlucose--fructose oxidoreductase 1.1.99.28 0.666
1yqd NAPSinapyl alcohol dehydrogenase / 0.666
1n1e NDEGlycerol-3-phosphate dehydrogenase [NAD(+)], glycosomal 1.1.1.8 0.665
1u8x NADMaltose-6'-phosphate glucosidase 3.2.1.122 0.665
3two NDPMannitol dehydrogenase / 0.665
4bv9 NDPKetimine reductase mu-crystallin 1.5.1.25 0.665
4jbi NDPAlcohol dehydrogenase (Zinc) / 0.665
5a06 NDPGlucose-fructose oxidoreductase / 0.665
4xb1 NDP319aa long hypothetical homoserine dehydrogenase / 0.664
5ees NAP4-hydroxy-tetrahydrodipicolinate reductase / 0.664
1hdo NAPFlavin reductase (NADPH) / 0.663
2g76 NADD-3-phosphoglycerate dehydrogenase 1.1.1.95 0.663
2gsd NADFormate dehydrogenase / 0.663
3jv7 NADSecondary alcohol dehydrogenase / 0.663
1h2b NAJNAD-dependent alcohol dehydrogenase / 0.662
1nyt NAPShikimate dehydrogenase (NADP(+)) / 0.662
2jah NDPClavaldehyde dehydrogenase / 0.662
3rj5 NADAlcohol dehydrogenase 1.1.1.1 0.662
1a71 NADAlcohol dehydrogenase E chain 1.1.1.1 0.661
1evj NADGlucose--fructose oxidoreductase 1.1.99.28 0.661
1rpn NDPGDP-mannose 4,6-dehydratase / 0.661
4y0k NAPAntE / 0.661
1o6z NADMalate dehydrogenase / 0.660
1x7h NDPPutative ketoacyl reductase 1.3.1 0.660
2ev9 NAPShikimate dehydrogenase (NADP(+)) / 0.660
2f1k NAPPrephenate dehydrogenase / 0.660
3lvf NADGlyceraldehyde-3-phosphate dehydrogenase 1 / 0.660
3u4c NDPNADPH-dependent reductase BacG / 0.660
4weq NAPNAD-dependent dehydrogenase / 0.660
4wji NAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase / 0.660
4yag NAIC alpha-dehydrogenase / 0.660
5ig2 NADShort-chain dehydrogenase/reductase SDR / 0.660
1n7g NDPGDP-mannose 4,6 dehydratase 2 4.2.1.47 0.659
1f17 NAIHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.658
2dbq NAPGlyoxylate reductase 1.1.1.26 0.658
4l0q NADAlcohol dehydrogenase class-3 / 0.658
4qed NAPElxO / 0.658
3oey NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.657
2b4r NADGlyceraldehyde-3-phosphate dehydrogenase / 0.656
2d2i NAPGlyceraldehyde-3-phosphate dehydrogenase / 0.656
4kwh NAPReductase homolog / 0.656
4mdh NADMalate dehydrogenase, cytoplasmic 1.1.1.37 0.656
5doz NDPJamJ / 0.656
1bws NDPGDP-L-fucose synthase / 0.655
1vi2 NADQuinate/shikimate dehydrogenase / 0.655
3bmo NAPPteridine reductase / 0.655
4jji NADAlcohol dehydrogenase class-3 / 0.655
5bqf NAPProbable hydroxyacid dehydrogenase protein / 0.655
2ztm NADD(-)-3-hydroxybutyrate dehydrogenase / 0.654
3a28 NADL-2,3-butanediol dehydrogenase 1.1.1.76 0.654
3ai3 NDPNADPH-sorbose reductase / 0.654
3hja NADGlyceraldehyde-3-phosphate dehydrogenase / 0.654
3qrw NDPPutative ketoacyl reductase 1.3.1 0.654
3toz NADShikimate dehydrogenase (NADP(+)) / 0.654
4kug NAD3-hydroxybutyryl-CoA dehydrogenase / 0.654
1h6b NDPGlucose--fructose oxidoreductase 1.1.99.28 0.653
1rye NDPGlucose--fructose oxidoreductase 1.1.99.28 0.653
1wnt NAPL-xylulose reductase 1.1.1.10 0.653
2wdz NADGalactitol dehydrogenase / 0.653
3ak4 NADNADH-dependent quinuclidinone reductase / 0.653
4bqp NADEnoyl-[acyl-carrier-protein] reductase [NADH] 1.3.1.9 0.653
4dc1 NDPPutative ketoacyl reductase 1.3.1 0.653
1hf3 NADAlcohol dehydrogenase E chain 1.1.1.1 0.652
4nu5 NADPhosphonate dehydrogenase 1.20.1.1 0.652
5c7o NADGlyceraldehyde-3-phosphate dehydrogenase, testis-specific 1.2.1.12 0.652
1bdb NADCis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase / 0.651
1h5q NAPNADP-dependent mannitol dehydrogenase 1.1.1.138 0.651
1r37 NADNAD-dependent alcohol dehydrogenase 1.1.1.1 0.651
1yl7 NAI4-hydroxy-tetrahydrodipicolinate reductase / 0.651
4e5m NAPPhosphonate dehydrogenase 1.20.1.1 0.651
2c20 NADUDP-glucose 4-epimerase / 0.650
2nad NADFormate dehydrogenase / 0.650
4okn NAIL-lactate dehydrogenase A chain 1.1.1.27 0.650