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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
3cin NAD Myo-inositol-1-phosphate synthase-related protein

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3cin NADMyo-inositol-1-phosphate synthase-related protein / 1.076
3qvx NADMyo-inositol-1-phosphate synthase (Ino1) / 0.760
3qvw NADMyo-inositol-1-phosphate synthase (Ino1) / 0.749
3qvs NADMyo-inositol-1-phosphate synthase (Ino1) / 0.746
3qvt NAIMyo-inositol-1-phosphate synthase (Ino1) / 0.745
3cos NADAlcohol dehydrogenase 4 1.1.1.1 0.737
2o4c NADErythronate-4-phosphate dehydrogenase / 0.729
1x7d NADPutative ornithine cyclodeaminase / 0.724
3cif NADGlyceraldehyde-3-phosphate dehydrogenase / 0.723
4xq9 NADHomospermidine synthase 2.5.1.44 0.723
3cps NADGlyceraldehyde-3-phosphate dehydrogenase / 0.721
5c7o NADGlyceraldehyde-3-phosphate dehydrogenase, testis-specific 1.2.1.12 0.720
1u3v NADAlcohol dehydrogenase 1B 1.1.1.1 0.719
3pym NADGlyceraldehyde-3-phosphate dehydrogenase 3 1.2.1.12 0.719
4boy NADGlyceraldehyde-3-phosphate dehydrogenase / 0.719
2g76 NADD-3-phosphoglycerate dehydrogenase 1.1.1.95 0.717
4k9d NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.717
3uko NADAlcohol dehydrogenase class-3 / 0.713
3zcx NADGlyceraldehyde-3-phosphate dehydrogenase / 0.708
4xrg NADHomospermidine synthase 2.5.1.44 0.708
1u8f NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.707
2g5c NADPrephenate dehydrogenase / 0.707
3ggp NADPrephenate dehydrogenase / 0.707
4gkv NADAlcohol dehydrogenase, propanol-preferring 1.1.1.1 0.706
4xqc NADHomospermidine synthase 2.5.1.44 0.706
1gad NADGlyceraldehyde-3-phosphate dehydrogenase A / 0.701
2vyv NADGlyceraldehyde-3-phosphate dehydrogenase A / 0.700
3qw2 NADMyo-inositol-1-phosphate synthase (Ino1) / 0.700
3oet NADErythronate-4-phosphate dehydrogenase / 0.699
4k28 NADShikimate dehydrogenase family protein / 0.699
1lde NADAlcohol dehydrogenase E chain 1.1.1.1 0.698
1agn NADAlcohol dehydrogenase class 4 mu/sigma chain 1.1.1.1 0.697
1j5p NADL-aspartate dehydrogenase 1.4.1.21 0.697
1jki NAIInositol-3-phosphate synthase 5.5.1.4 0.696
2pa3 NAID-3-phosphoglycerate dehydrogenase 1.1.1.95 0.696
4plp NADHomospermidine synthase 2.5.1.44 0.696
1lso NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.695
1yba NADD-3-phosphoglycerate dehydrogenase 1.1.1.95 0.695
2ep7 NADGlyceraldehyde-3-phosphate dehydrogenase / 0.695
2g82 NADGlyceraldehyde-3-phosphate dehydrogenase / 0.695
1hyh NADL-2-hydroxyisocaproate dehydrogenase / 0.692
3wsw NADL-lactate dehydrogenase / 0.692
1jnr FADAdenylylsulfate reductase, subunit A (AprA) / 0.691
1vsv NADGlyceraldehyde-3-phosphate dehydrogenase / 0.690
2fjd SFDAdenylylsulfate reductase, subunit A (AprA) / 0.690
1dxy NADD-2-hydroxyisocaproate dehydrogenase 1.1.1 0.689
4lsm NADGlyceraldehyde-3-phosphate dehydrogenase / 0.689
1u7h NADPutative ornithine cyclodeaminase / 0.688
4tvb NADHomospermidine synthase 2.5.1.44 0.688
2oxi NADAlcohol dehydrogenase E chain 1.1.1.1 0.687
3d4p NADL-lactate dehydrogenase 1 1.1.1.27 0.687
4pzd NAD3-Hydroxyacyl-CoA dehydrogenase / 0.686
1psd NADD-3-phosphoglycerate dehydrogenase 1.1.1.95 0.685
2b4r NADGlyceraldehyde-3-phosphate dehydrogenase / 0.685
4o59 NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.684
1ht0 NADAlcohol dehydrogenase 1C 1.1.1.1 0.683
1sc6 NADD-3-phosphoglycerate dehydrogenase 1.1.1.95 0.683
1f17 NAIHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.682
1nq5 NADGlyceraldehyde-3-phosphate dehydrogenase / 0.682
1uxj NADMalate dehydrogenase / 0.682
1j0x NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.681
3cmc NADGlyceraldehyde-3-phosphate dehydrogenase / 0.681
3f3s NADLambda-crystallin homolog / 0.681
4p8r NADGlyceraldehyde-3-phosphate dehydrogenase / 0.681
1gd1 NADGlyceraldehyde-3-phosphate dehydrogenase / 0.680
3ing NDPHomoserine dehydrogenase related protein / 0.680
4wji NAPPutative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase / 0.680
2vhv NAIAlanine dehydrogenase 1.4.1.1 0.679
2voj NADAlanine dehydrogenase 1.4.1.1 0.679
2ohx NADAlcohol dehydrogenase E chain 1.1.1.1 0.678
3qv1 NADGlyceraldehyde-3-phosphate dehydrogenase GAPA1, chloroplastic 1.2.1.13 0.678
1nqo NADGlyceraldehyde-3-phosphate dehydrogenase / 0.677
2vyn NADGlyceraldehyde-3-phosphate dehydrogenase A / 0.677
1pzg A3DLactate dehydrogenase / 0.675
3ec7 NADInositol 2-dehydrogenase / 0.675
1o6z NADMalate dehydrogenase / 0.674
4nfh NAJAlcohol dehydrogenase E chain 1.1.1.1 0.673
1hdz NADAlcohol dehydrogenase 1B 1.1.1.1 0.672
3oq6 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.672
4dwv NAJAlcohol dehydrogenase E chain 1.1.1.1 0.672
5kje NAJAlcohol dehydrogenase E chain 1.1.1.1 0.672
1guy NADMalate dehydrogenase / 0.671
3b1j NADGlyceraldehyde-3-phosphate dehydrogenase / 0.671
3ids NADGlyceraldehyde-3-phosphate dehydrogenase, glycosomal 1.2.1.12 0.671
3pdu NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.671
3pef NAPGlyoxalate/3-oxopropanoate/4-oxobutanoate reductase / 0.671
1cdo NADAlcohol dehydrogenase 1 1.1.1.1 0.670
1cjc FADNADPH:adrenodoxin oxidoreductase, mitochondrial 1.18.1.6 0.670
1b3r NADAdenosylhomocysteinase 3.3.1.1 0.669
1rp0 AHZThiamine thiazole synthase, chloroplastic / 0.669
2ekl NADD-3-phosphoglycerate dehydrogenase / 0.669
3jv7 NADSecondary alcohol dehydrogenase / 0.669
3s55 NADPutative short-chain dehydrogenase/reductase / 0.669
1dss NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.667
1npt NADGlyceraldehyde-3-phosphate dehydrogenase / 0.666
2jkv NAP6-phosphogluconate dehydrogenase, decarboxylating 1.1.1.44 0.666
1yqd NAPSinapyl alcohol dehydrogenase / 0.665
2dt5 NADRedox-sensing transcriptional repressor Rex / 0.665
3l4s NADGlyceraldehyde-3-phosphate dehydrogenase 1 / 0.665
3tri NAPPyrroline-5-carboxylate reductase / 0.665
4oaq NDPR-specific carbonyl reductase / 0.665
2i9p NAD3-hydroxyisobutyrate dehydrogenase, mitochondrial 1.1.1.31 0.664
3g5s FADMethylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO / 0.664
3sx2 NADUncharacterized protein / 0.664
4dl9 NADS-(hydroxymethyl)glutathione dehydrogenase / 0.664
1lld NADL-lactate dehydrogenase 2 1.1.1.27 0.663
1gv0 NADMalate dehydrogenase / 0.662
1nqa NADGlyceraldehyde-3-phosphate dehydrogenase / 0.662
2p9g NAID-3-phosphoglycerate dehydrogenase 1.1.1.95 0.662
1a71 NADAlcohol dehydrogenase E chain 1.1.1.1 0.661
1axe NADAlcohol dehydrogenase E chain 1.1.1.1 0.661
1c1d NAIPhenylalanine dehydrogenase / 0.661
1hld NADAlcohol dehydrogenase E chain 1.1.1.1 0.661
2p9c NAID-3-phosphoglycerate dehydrogenase 1.1.1.95 0.661
3d64 NADAdenosylhomocysteinase / 0.661
4rvu NDPProbable quinone reductase Qor (NADPH:quinone reductase) (Zeta-crystallin homolog protein) / 0.661
4xd2 NAIAlcohol dehydrogenase E chain 1.1.1.1 0.661
5env NADAlcohol dehydrogenase 1 1.1.1.1 0.660
5kjf NAJAlcohol dehydrogenase E chain 1.1.1.1 0.660
2npx NADNADH peroxidase 1.11.1.1 0.659
3n7u NADFormate dehydrogenase, chloroplastic/mitochondrial / 0.659
4lcj NADC-terminal-binding protein 2 / 0.659
5kcz NAJAlcohol dehydrogenase E chain 1.1.1.1 0.659
1pjc NADAlanine dehydrogenase / 0.658
1yl7 NAI4-hydroxy-tetrahydrodipicolinate reductase / 0.658
1mgo NADAlcohol dehydrogenase E chain 1.1.1.1 0.657
1szj NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.657
3m2t NADProbable dehydrogenase / 0.657
3w6u NAP6-phosphogluconate dehydrogenase, NAD-binding protein / 0.657
4o63 NADGlyceraldehyde-3-phosphate dehydrogenase 1.2.1.12 0.657
4xgi NADGlutamate dehydrogenase / 0.657
5cdg NAJAlcohol dehydrogenase E chain 1.1.1.1 0.657
1f0y NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.656
1m76 NADHydroxyacyl-coenzyme A dehydrogenase, mitochondrial 1.1.1.35 0.656
2jhf NADAlcohol dehydrogenase E chain 1.1.1.1 0.656
2xaa NADSecondary alcohol dehydrogenase / 0.656
3mvq NDPGlutamate dehydrogenase 1, mitochondrial 1.4.1.3 0.656
4dxh NAJAlcohol dehydrogenase E chain 1.1.1.1 0.656
4e5p NADPhosphonate dehydrogenase 1.20.1.1 0.656
5cds NAJAlcohol dehydrogenase E chain 1.1.1.1 0.656
5cdt NAJAlcohol dehydrogenase E chain 1.1.1.1 0.656
5kj1 NAJAlcohol dehydrogenase E chain 1.1.1.1 0.656
5kjc NAJAlcohol dehydrogenase E chain 1.1.1.1 0.656
1hdg NADGlyceraldehyde-3-phosphate dehydrogenase / 0.655
1hf3 NADAlcohol dehydrogenase E chain 1.1.1.1 0.655
1hsz NADAlcohol dehydrogenase 1B 1.1.1.1 0.655
3doc NADGlyceraldehyde-3-phosphate dehydrogenase / 0.655
3ksd NADGlyceraldehyde-3-phosphate dehydrogenase 1 / 0.654
1f8f NADBenzyl alcohol dehydrogenase / 0.653
2nad NADFormate dehydrogenase / 0.653
4rdi ATPtRNA threonylcarbamoyladenosine dehydratase 6.1 0.652
4xb2 NDP319aa long hypothetical homoserine dehydrogenase / 0.652
4yac NAIC alpha-dehydrogenase / 0.652
1gae NADGlyceraldehyde-3-phosphate dehydrogenase A / 0.651
1nbo NADGlyceraldehyde-3-phosphate dehydrogenase A, chloroplastic 1.2.1.13 0.651
3ru7 NADUDP-N-acetylglucosamine 4-epimerase / 0.651
1e3w NAD3-hydroxyacyl-CoA dehydrogenase type-2 1.1.1.35 0.650
1zh8 NAPUncharacterized protein / 0.650