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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
4oaq NDP R-specific carbonyl reductase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4oaq NDPR-specific carbonyl reductase / 1.548
1yqd NAPSinapyl alcohol dehydrogenase / 1.019
4gkv NADAlcohol dehydrogenase, propanol-preferring 1.1.1.1 0.999
3two NDPMannitol dehydrogenase / 0.971
1yqx NAPSinapyl alcohol dehydrogenase / 0.904
1u3v NADAlcohol dehydrogenase 1B 1.1.1.1 0.896
4w6z 8IDAlcohol dehydrogenase 1 1.1.1.1 0.895
5kj6 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.895
1r37 NADNAD-dependent alcohol dehydrogenase 1.1.1.1 0.894
1h2b NAJNAD-dependent alcohol dehydrogenase / 0.887
3oq6 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.887
4dwv NAJAlcohol dehydrogenase E chain 1.1.1.1 0.887
5cdt NAJAlcohol dehydrogenase E chain 1.1.1.1 0.875
4nfh NAJAlcohol dehydrogenase E chain 1.1.1.1 0.873
5kcz NAJAlcohol dehydrogenase E chain 1.1.1.1 0.872
5kjf NAJAlcohol dehydrogenase E chain 1.1.1.1 0.872
5cdg NAJAlcohol dehydrogenase E chain 1.1.1.1 0.871
5cds NAJAlcohol dehydrogenase E chain 1.1.1.1 0.871
5kj1 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.870
5kje NAJAlcohol dehydrogenase E chain 1.1.1.1 0.870
2oxi NADAlcohol dehydrogenase E chain 1.1.1.1 0.869
2ohx NADAlcohol dehydrogenase E chain 1.1.1.1 0.868
4dxh NAJAlcohol dehydrogenase E chain 1.1.1.1 0.866
1mgo NADAlcohol dehydrogenase E chain 1.1.1.1 0.864
1lde NADAlcohol dehydrogenase E chain 1.1.1.1 0.863
3jv7 NADSecondary alcohol dehydrogenase / 0.858
4c4o NADSADH / 0.856
1het NADAlcohol dehydrogenase E chain 1.1.1.1 0.855
2jhf NADAlcohol dehydrogenase E chain 1.1.1.1 0.854
1hsz NADAlcohol dehydrogenase 1B 1.1.1.1 0.852
5kcp NAJAlcohol dehydrogenase E chain 1.1.1.1 0.851
3wle NAD(R)-specific carbonyl reductase / 0.850
1hf3 NADAlcohol dehydrogenase E chain 1.1.1.1 0.849
1axe NADAlcohol dehydrogenase E chain 1.1.1.1 0.840
4dlb NADS-(hydroxymethyl)glutathione dehydrogenase / 0.832
5env NADAlcohol dehydrogenase 1 1.1.1.1 0.826
1ht0 NADAlcohol dehydrogenase 1C 1.1.1.1 0.823
1u7h NADPutative ornithine cyclodeaminase / 0.813
3cos NADAlcohol dehydrogenase 4 1.1.1.1 0.813
2xaa NADSecondary alcohol dehydrogenase / 0.807
1a71 NADAlcohol dehydrogenase E chain 1.1.1.1 0.803
1adb CNDAlcohol dehydrogenase E chain 1.1.1.1 0.800
1hld NADAlcohol dehydrogenase E chain 1.1.1.1 0.797
1piw NAPNADP-dependent alcohol dehydrogenase 6 1.1.1.2 0.794
1x7d NADPutative ornithine cyclodeaminase / 0.792
1hdz NADAlcohol dehydrogenase 1B 1.1.1.1 0.788
1hyh NADL-2-hydroxyisocaproate dehydrogenase / 0.787
1p0f NAPNADP-dependent alcohol dehydrogenase 1.1.1.2 0.782
1llu NADAlcohol dehydrogenase / 0.781
1kol NADGlutathione-independent formaldehyde dehydrogenase / 0.779
1ma0 NADAlcohol dehydrogenase class-3 1.1.1.1 0.778
1o8c NDPProbable acrylyl-CoA reductase AcuI 1.3.1.84 0.778
1axg NADAlcohol dehydrogenase E chain 1.1.1.1 0.776
5kjc NAJAlcohol dehydrogenase E chain 1.1.1.1 0.774
1mp0 NADAlcohol dehydrogenase class-3 1.1.1.1 0.772
4l0q NADAlcohol dehydrogenase class-3 / 0.762
1agn NADAlcohol dehydrogenase class 4 mu/sigma chain 1.1.1.1 0.760
4cpd NADAlcohol dehydrogenase / 0.760
2eer NADNAD-dependent alcohol dehydrogenase 1.1.1.1 0.759
3d4p NADL-lactate dehydrogenase 1 1.1.1.27 0.759
1heu NADAlcohol dehydrogenase E chain 1.1.1.1 0.753
1t2d NADL-lactate dehydrogenase 1.1.1.27 0.753
4okn NAIL-lactate dehydrogenase A chain 1.1.1.27 0.753
3wbf NAPMeso-diaminopimelate D-dehydrogenase / 0.752
2fzw NADAlcohol dehydrogenase class-3 1.1.1.1 0.747
2dph NADFormaldehyde dismutase / 0.746
6adh NADAlcohol dehydrogenase E chain 1.1.1.1 0.746
4xd2 NAIAlcohol dehydrogenase E chain 1.1.1.1 0.743
1uxj NADMalate dehydrogenase / 0.740
1adc PADAlcohol dehydrogenase E chain 1.1.1.1 0.739
4b7x NAPProbable oxidoreductase / 0.737
2vhv NAIAlanine dehydrogenase 1.4.1.1 0.733
2voj NADAlanine dehydrogenase 1.4.1.1 0.732
4rqu NADAlcohol dehydrogenase class-P / 0.732
1e3l NADAlcohol dehydrogenase 4 1.1.1.1 0.731
2fn7 NADLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase / 0.730
5a1t NAIL-lactate dehydrogenase / 0.730
1teh NADAlcohol dehydrogenase class-3 1.1.1.1 0.728
4jji NADAlcohol dehydrogenase class-3 / 0.728
3h3j NADL-lactate dehydrogenase 1 1.1.1.27 0.727
3m6i NADL-arabinitol 4-dehydrogenase 1.1.1.12 0.727
4i1i NADMalate dehydrogenase / 0.727
3wsw NADL-lactate dehydrogenase / 0.726
5doz NDPJamJ / 0.723
1pjc NADAlanine dehydrogenase / 0.722
2g76 NADD-3-phosphoglycerate dehydrogenase 1.1.1.95 0.722
4plp NADHomospermidine synthase 2.5.1.44 0.722
1pzh NADLactate dehydrogenase / 0.721
4hfm NAP2-alkenal reductase (NADP(+)-dependent) / 0.719
4nd3 NADLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase / 0.718
3a14 NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.716
3wbb NAPMeso-diaminopimelate D-dehydrogenase / 0.716
2o4c NADErythronate-4-phosphate dehydrogenase / 0.713
1ez4 NADL-lactate dehydrogenase 1.1.1.27 0.712
1h6c NDPGlucose--fructose oxidoreductase 1.1.99.28 0.712
5a06 NDPGlucose-fructose oxidoreductase / 0.711
4nfs NAJAlcohol dehydrogenase E chain 1.1.1.1 0.710
1gv0 NADMalate dehydrogenase / 0.709
1uxk NADMalate dehydrogenase / 0.709
2x0r NADMalate dehydrogenase / 0.709
3qwb NDPProbable quinone oxidoreductase 1.6.5.5 0.709
1ib6 NADMalate dehydrogenase / 0.708
4tvb NADHomospermidine synthase 2.5.1.44 0.708
4xrg NADHomospermidine synthase 2.5.1.44 0.708
1u8x NADMaltose-6'-phosphate glucosidase 3.2.1.122 0.706
3uko NADAlcohol dehydrogenase class-3 / 0.706
4jk3 NADUncharacterized protein / 0.706
3baz NAPHydroxyphenylpyruvate reductase 1.1.1.237 0.703
1lld NADL-lactate dehydrogenase 2 1.1.1.27 0.701
4y1b NAPAntE / 0.701
1vi2 NADQuinate/shikimate dehydrogenase / 0.700
4gl4 NAIAlcohol dehydrogenase class-3 / 0.700
1o6z NADMalate dehydrogenase / 0.699
1q0q NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase 1.1.1.267 0.698
4wlv NADMalate dehydrogenase, mitochondrial 1.1.1.37 0.698
1wze NADMalate dehydrogenase / 0.697
2dbz NAPGlyoxylate reductase 1.1.1.26 0.697
4j43 NADUncharacterized protein / 0.697
1pj3 NADNAD-dependent malic enzyme, mitochondrial 1.1.1.38 0.696
1sow NADL-lactate dehydrogenase 1.1.1.27 0.696
3wid NAPGlucose 1-dehydrogenase / 0.696
1qor NDPQuinone oxidoreductase 1 / 0.695
4xqc NADHomospermidine synthase 2.5.1.44 0.692
3nx4 NAPPutative oxidoreductase / 0.691
4xq9 NADHomospermidine synthase 2.5.1.44 0.691
4y0k NAPAntE / 0.691
4jnk NAIL-lactate dehydrogenase A chain 1.1.1.27 0.690
1ie3 NADMalate dehydrogenase / 0.689
2ekl NADD-3-phosphoglycerate dehydrogenase / 0.689
2vhx NADAlanine dehydrogenase 1.4.1.1 0.689
1nyt NAPShikimate dehydrogenase (NADP(+)) / 0.688
1o9b NAIQuinate/shikimate dehydrogenase / 0.688
3kb6 NADD-lactate dehydrogenase / 0.686
2ldb NADL-lactate dehydrogenase 1.1.1.27 0.684
2vwh NAPGlucose 1-dehydrogenase / 0.684
1pzg A3DLactate dehydrogenase / 0.683
3tqh NDPQuinone oxidoreductase / 0.683
4mdh NADMalate dehydrogenase, cytoplasmic 1.1.1.37 0.682
2x0i NAIMalate dehydrogenase / 0.681
4xyb NDPFormate dehydrogenase / 0.681
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.680
3qvs NADMyo-inositol-1-phosphate synthase (Ino1) / 0.680
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.679
1yon A2R2-dehydropantoate 2-reductase 1.1.1.169 0.678
4ng5 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.678
1up7 NAD6-phospho-beta-glucosidase BglT 3.2.1.86 0.676
5dul NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase / 0.676
1ryd NDPGlucose--fructose oxidoreductase 1.1.99.28 0.675
3t4e NADQuinate/shikimate dehydrogenase / 0.675
2glx NDP1,5-anhydro-D-fructose reductase / 0.674
2vhz NAIAlanine dehydrogenase 1.4.1.1 0.673
3w6u NAP6-phosphogluconate dehydrogenase, NAD-binding protein / 0.673
1n2s NAIdTDP-4-dehydrorhamnose reductase 1.1.1.133 0.672
2j3k NAPNADPH-dependent oxidoreductase 2-alkenal reductase 1.3.1.74 0.670
5lc1 NADL-threonine 3-dehydrogenase / 0.670
1obb NADAlpha-glucosidase 3.2.1.20 0.669
2cvz NDP3-hydroxyisobutyrate dehydrogenase / 0.669
4nd4 NADLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase / 0.669
1pj2 NAINAD-dependent malic enzyme, mitochondrial 1.1.1.38 0.668
5mdh NADMalate dehydrogenase, cytoplasmic 1.1.1.37 0.668
1m75 NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.667
4e5p NADPhosphonate dehydrogenase 1.20.1.1 0.667
1m76 NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.666
3bts NADGalactose/lactose metabolism regulatory protein GAL80 / 0.666
3kbo NDPGlyoxylate/hydroxypyruvate reductase A / 0.666
1f0y NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.665
2h63 NAPBiliverdin reductase A 1.3.1.24 0.665
2zb3 NDPProstaglandin reductase 2 1.3.1.48 0.665
3cin NADMyo-inositol-1-phosphate synthase-related protein / 0.665
1h6d NDPGlucose--fructose oxidoreductase 1.1.99.28 0.664
2qx7 NAPEugenol synthase 1 1.1.1.318 0.664
2c29 NAPDihydroflavonol 4-reductase / 0.663
2cdc NAPGlucose 1-dehydrogenase / 0.663
2vwq NAPGlucose 1-dehydrogenase / 0.663
4j49 NADUncharacterized protein / 0.663
1h6a NDPGlucose--fructose oxidoreductase 1.1.99.28 0.660
4gae NDP1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic 1.1.1.267 0.660
5a02 NAPGlucose-fructose oxidoreductase / 0.660
3phi NDPShikimate dehydrogenase (NADP(+)) / 0.659
4gi2 NAPCrotonyl-CoA carboxylase/reductase / 0.659
2y05 NAPProstaglandin reductase 1 / 0.658
3jyn NDPQuinone oxidoreductase / 0.657
3hwr NDP2-dehydropantoate 2-reductase / 0.656
4dl9 NADS-(hydroxymethyl)glutathione dehydrogenase / 0.656
4weq NAPNAD-dependent dehydrogenase / 0.653
2a92 NAIL-lactate dehydrogenase / 0.652
2vq3 NAPMetalloreductase STEAP3 / 0.652
4hwk NAPSepiapterin reductase 1.1.1.153 0.652
5a04 NDPGlucose-fructose oxidoreductase / 0.652
1guy NADMalate dehydrogenase / 0.651
3qvx NADMyo-inositol-1-phosphate synthase (Ino1) / 0.651
4e5m NAPPhosphonate dehydrogenase 1.20.1.1 0.650