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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
3wle NAD (R)-specific carbonyl reductase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3wle NAD(R)-specific carbonyl reductase / 1.207
4c4o NADSADH / 1.050
3jv7 NADSecondary alcohol dehydrogenase / 1.040
4gkv NADAlcohol dehydrogenase, propanol-preferring 1.1.1.1 0.996
1u3v NADAlcohol dehydrogenase 1B 1.1.1.1 0.992
1r37 NADNAD-dependent alcohol dehydrogenase 1.1.1.1 0.962
2xaa NADSecondary alcohol dehydrogenase / 0.962
1h2b NAJNAD-dependent alcohol dehydrogenase / 0.947
3two NDPMannitol dehydrogenase / 0.929
1axe NADAlcohol dehydrogenase E chain 1.1.1.1 0.926
5kj6 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.920
3oq6 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.915
1lde NADAlcohol dehydrogenase E chain 1.1.1.1 0.907
1ht0 NADAlcohol dehydrogenase 1C 1.1.1.1 0.906
5kjf NAJAlcohol dehydrogenase E chain 1.1.1.1 0.904
1mgo NADAlcohol dehydrogenase E chain 1.1.1.1 0.903
4dxh NAJAlcohol dehydrogenase E chain 1.1.1.1 0.901
1het NADAlcohol dehydrogenase E chain 1.1.1.1 0.896
1hf3 NADAlcohol dehydrogenase E chain 1.1.1.1 0.895
4xd2 NAIAlcohol dehydrogenase E chain 1.1.1.1 0.888
4dwv NAJAlcohol dehydrogenase E chain 1.1.1.1 0.886
5cds NAJAlcohol dehydrogenase E chain 1.1.1.1 0.886
5kj1 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.885
1heu NADAlcohol dehydrogenase E chain 1.1.1.1 0.883
5cdt NAJAlcohol dehydrogenase E chain 1.1.1.1 0.869
2jhf NADAlcohol dehydrogenase E chain 1.1.1.1 0.868
2eer NADNAD-dependent alcohol dehydrogenase 1.1.1.1 0.867
4nfs NAJAlcohol dehydrogenase E chain 1.1.1.1 0.866
4ng5 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.866
5kje NAJAlcohol dehydrogenase E chain 1.1.1.1 0.866
4nfh NAJAlcohol dehydrogenase E chain 1.1.1.1 0.864
4w6z 8IDAlcohol dehydrogenase 1 1.1.1.1 0.862
1hsz NADAlcohol dehydrogenase 1B 1.1.1.1 0.861
5kjc NAJAlcohol dehydrogenase E chain 1.1.1.1 0.860
3cos NADAlcohol dehydrogenase 4 1.1.1.1 0.855
2ohx NADAlcohol dehydrogenase E chain 1.1.1.1 0.853
4oaq NDPR-specific carbonyl reductase / 0.850
2oxi NADAlcohol dehydrogenase E chain 1.1.1.1 0.847
1yqd NAPSinapyl alcohol dehydrogenase / 0.842
1hld NADAlcohol dehydrogenase E chain 1.1.1.1 0.838
5kcz NAJAlcohol dehydrogenase E chain 1.1.1.1 0.834
1uxj NADMalate dehydrogenase / 0.832
1adc PADAlcohol dehydrogenase E chain 1.1.1.1 0.816
1axg NADAlcohol dehydrogenase E chain 1.1.1.1 0.816
5cdg NAJAlcohol dehydrogenase E chain 1.1.1.1 0.815
5kcp NAJAlcohol dehydrogenase E chain 1.1.1.1 0.814
1a71 NADAlcohol dehydrogenase E chain 1.1.1.1 0.810
5env NADAlcohol dehydrogenase 1 1.1.1.1 0.795
6adh NADAlcohol dehydrogenase E chain 1.1.1.1 0.792
1yqx NAPSinapyl alcohol dehydrogenase / 0.790
1hdz NADAlcohol dehydrogenase 1B 1.1.1.1 0.789
1uxk NADMalate dehydrogenase / 0.781
4dlb NADS-(hydroxymethyl)glutathione dehydrogenase / 0.778
1adb CNDAlcohol dehydrogenase E chain 1.1.1.1 0.775
3h3j NADL-lactate dehydrogenase 1 1.1.1.27 0.765
4j43 NADUncharacterized protein / 0.763
1kol NADGlutathione-independent formaldehyde dehydrogenase / 0.761
2x0i NAIMalate dehydrogenase / 0.759
1agn NADAlcohol dehydrogenase class 4 mu/sigma chain 1.1.1.1 0.758
1ma0 NADAlcohol dehydrogenase class-3 1.1.1.1 0.757
4cpd NADAlcohol dehydrogenase / 0.752
1mp0 NADAlcohol dehydrogenase class-3 1.1.1.1 0.748
2vhv NAIAlanine dehydrogenase 1.4.1.1 0.745
4b7x NAPProbable oxidoreductase / 0.737
2vhx NADAlanine dehydrogenase 1.4.1.1 0.736
3d4p NADL-lactate dehydrogenase 1 1.1.1.27 0.736
1ib6 NADMalate dehydrogenase / 0.735
1yb5 NAPQuinone oxidoreductase 1.6.5.5 0.731
4jk3 NADUncharacterized protein / 0.731
4j49 NADUncharacterized protein / 0.728
4rqu NADAlcohol dehydrogenase class-P / 0.728
1e3l NADAlcohol dehydrogenase 4 1.1.1.1 0.726
1llu NADAlcohol dehydrogenase / 0.724
4hfm NAP2-alkenal reductase (NADP(+)-dependent) / 0.723
2vhz NAIAlanine dehydrogenase 1.4.1.1 0.722
3m6i NADL-arabinitol 4-dehydrogenase 1.1.1.12 0.722
3uko NADAlcohol dehydrogenase class-3 / 0.721
1hyh NADL-2-hydroxyisocaproate dehydrogenase / 0.718
1ie3 NADMalate dehydrogenase / 0.717
1pl6 NADSorbitol dehydrogenase 1.1.1.14 0.717
1o6z NADMalate dehydrogenase / 0.715
2dt5 NADRedox-sensing transcriptional repressor Rex / 0.714
4jnk NAIL-lactate dehydrogenase A chain 1.1.1.27 0.714
2dph NADFormaldehyde dismutase / 0.708
2y05 NAPProstaglandin reductase 1 / 0.707
4ejm NAPPutative zinc-binding dehydrogenase / 0.706
2vhw NAIAlanine dehydrogenase 1.4.1.1 0.702
1f0y NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.701
1wwk NAD307aa long hypothetical phosphoglycerate dehydrogenase / 0.701
4jji NADAlcohol dehydrogenase class-3 / 0.700
4rvu NDPProbable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein) / 0.698
1lld NADL-lactate dehydrogenase 2 1.1.1.27 0.696
1t2d NADL-lactate dehydrogenase 1.1.1.27 0.696
2vwh NAPGlucose 1-dehydrogenase / 0.696
3jyp NADQuinate/shikimate dehydrogenase (NAD(+)) / 0.695
4l4s NAIL-lactate dehydrogenase A chain 1.1.1.27 0.694
2o4c NADErythronate-4-phosphate dehydrogenase / 0.693
4j4b NAIUncharacterized protein / 0.692
4l0q NADAlcohol dehydrogenase class-3 / 0.691
1pl8 NADSorbitol dehydrogenase 1.1.1.14 0.690
2x0r NADMalate dehydrogenase / 0.690
5mdh NADMalate dehydrogenase, cytoplasmic 1.1.1.37 0.690
1f8f NADBenzyl alcohol dehydrogenase / 0.689
2b5v NAPGlucose 1-dehydrogenase / 0.689
3baz NAPHydroxyphenylpyruvate reductase 1.1.1.237 0.686
4nd3 NADLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase / 0.686
1sow NADL-lactate dehydrogenase 1.1.1.27 0.684
4dl9 NADS-(hydroxymethyl)glutathione dehydrogenase / 0.684
1hku NADC-terminal-binding protein 1 1.1.1 0.681
3tqh NDPQuinone oxidoreductase / 0.681
5a02 NAPGlucose-fructose oxidoreductase / 0.681
1gv0 NADMalate dehydrogenase / 0.680
4y0k NAPAntE / 0.680
1pjc NADAlanine dehydrogenase / 0.678
2fze APRAlcohol dehydrogenase class-3 1.1.1.1 0.676
2vwq NAPGlucose 1-dehydrogenase / 0.676
2cda NAPGlucose 1-dehydrogenase / 0.674
3nx4 NAPPutative oxidoreductase / 0.674
1guy NADMalate dehydrogenase / 0.673
1psd NADD-3-phosphoglycerate dehydrogenase 1.1.1.95 0.673
1ur5 NADMalate dehydrogenase / 0.673
4ywj NAD4-hydroxy-tetrahydrodipicolinate reductase / 0.673
1o8c NDPProbable acrylyl-CoA reductase AcuI 1.3.1.84 0.672
1p0f NAPNADP-dependent alcohol dehydrogenase 1.1.1.2 0.672
2zb3 NDPProstaglandin reductase 2 1.3.1.48 0.672
4nd2 A3DLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase / 0.672
1b8u NADMalate dehydrogenase / 0.671
1qlh NADAlcohol dehydrogenase E chain 1.1.1.1 0.671
4bv9 NDPKetimine reductase mu-crystallin 1.5.1.25 0.671
5a1t NAIL-lactate dehydrogenase / 0.671
2cdc NAPGlucose 1-dehydrogenase / 0.670
5dt9 NADErythronate-4-phosphate dehydrogenase / 0.670
2vna NAPProstaglandin reductase 2 1.3.1.48 0.669
2ome NADC-terminal-binding protein 2 / 0.668
4e5k NADPhosphonate dehydrogenase 1.20.1.1 0.667
4gl4 NAIAlcohol dehydrogenase class-3 / 0.667
1h6d NDPGlucose--fructose oxidoreductase 1.1.99.28 0.666
2nnl NAPDihydroflavonol 4-reductase 1.1.1.219 0.666
1qor NDPQuinone oxidoreductase 1 / 0.665
1y8q ATPSUMO-activating enzyme subunit 2 6.3.2 0.665
2hjr APRMalate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase / 0.665
4xqc NADHomospermidine synthase 2.5.1.44 0.665
2j3k NAPNADPH-dependent oxidoreductase 2-alkenal reductase 1.3.1.74 0.664
4e5m NAPPhosphonate dehydrogenase 1.20.1.1 0.664
4j49 NAIUncharacterized protein / 0.664
4lcj NADC-terminal-binding protein 2 / 0.664
4tvb NADHomospermidine synthase 2.5.1.44 0.664
5a04 NDPGlucose-fructose oxidoreductase / 0.664
5a05 NDPGlucose-fructose oxidoreductase / 0.664
1pzf A3DLactate dehydrogenase / 0.663
3wid NAPGlucose 1-dehydrogenase / 0.663
4plp NADHomospermidine synthase 2.5.1.44 0.663
1pzg A3DLactate dehydrogenase / 0.658
3oet NADErythronate-4-phosphate dehydrogenase / 0.657
2dfd NADMalate dehydrogenase, mitochondrial 1.1.1.37 0.656
4xyb NDPFormate dehydrogenase / 0.656
2ph5 NADHomospermidine synthase / 0.654
4y1b NAPAntE / 0.654
3n7u NADFormate dehydrogenase, chloroplastic/mitochondrial / 0.653
4hxy NDPPlm1 / 0.653
1eq2 NAPADP-L-glycero-D-manno-heptose-6-epimerase / 0.652
2voj NADAlanine dehydrogenase 1.4.1.1 0.652
1piw NAPNADP-dependent alcohol dehydrogenase 6 1.1.1.2 0.651
3kb6 NADD-lactate dehydrogenase / 0.651
3wsw NADL-lactate dehydrogenase / 0.651
4k28 NADShikimate dehydrogenase family protein / 0.651
4nd4 NADLactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase / 0.651
4wlu NADMalate dehydrogenase, mitochondrial 1.1.1.37 0.651
3g5q FADMethylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO / 0.650
4e5p NADPhosphonate dehydrogenase 1.20.1.1 0.650