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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
1bxs NAD Retinal dehydrogenase 1 1.2.1.36

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1bxs NADRetinal dehydrogenase 1 1.2.1.36 1.131
1o01 NADAldehyde dehydrogenase, mitochondrial 1.2.1.3 1.025
4x4l NAIRetinal dehydrogenase 1 1.2.1.36 1.007
2onp NADAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.984
1o02 NADAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.956
4fqf NADAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.925
1nzz NAIAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.924
3n82 NADAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.906
4pxl NADAldehyde dehydrogenase3 / 0.879
1nzw NAIAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.876
1o00 NADAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.871
2onm NADAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.862
4wb9 NAIRetinal dehydrogenase 1 1.2.1.36 0.858
4itb NDPSuccinate-semialdehyde dehydrogenase / 0.850
4pt0 NADAldehyde dehydrogenase / 0.833
4fr8 NADAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.823
5eyu NADBetaine-aldehyde dehydrogenase / 0.768
4i8q NADPutative betaine aldehyde dehyrogenase / 0.762
1o9j NADAldehyde dehydrogenase, cytosolic 1 1.2.1.3 0.758
1nzx NADAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.754
4fr8 ADPAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.752
1wnb NAIGamma-aminobutyraldehyde dehydrogenase 1.2.1.19 0.746
5dib NADBetaine-aldehyde dehydrogenase / 0.746
3n83 ADPAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.744
1cw3 NADAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.743
4i3w NADAldehyde dehydrogenase (NAD+) / 0.742
4ihi NADProbable pyrroline-5-carboxylate dehydrogenase RocA / 0.742
5ez4 NADBetaine-aldehyde dehydrogenase / 0.738
2j40 NAD1-pyrroline-5-carboxylate dehydrogenase / 0.736
3rhr NDPCytosolic 10-formyltetrahydrofolate dehydrogenase 1.5.1.6 0.732
4f3x NADPutative aldehyde dehydrogenase / 0.730
3zqa NDPNAD/NADP-dependent betaine aldehyde dehydrogenase / 0.728
4i9b NADPutative betaine aldehyde dehyrogenase / 0.727
4pz2 NADAldehyde dehydrogenase 2-6 / 0.724
3rhl NAPCytosolic 10-formyltetrahydrofolate dehydrogenase 1.5.1.6 0.723
3b4w NADAldehyde dehydrogenase family protein / 0.720
2y5d NAP3,4-dehydroadipyl-CoA semialdehyde dehydrogenase / 0.718
2d4e NAD5-carboxymethyl-2-hydroxymuconate semialdehyde dehydrogenaseiheyensis HTE831] / 0.711
3rhq NAPCytosolic 10-formyltetrahydrofolate dehydrogenase 1.5.1.6 0.711
4x2q NADRetinal dehydrogenase 2 1.2.1.36 0.710
1uxr NAPNAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase / 0.708
4go2 TAPCytosolic 10-formyltetrahydrofolate dehydrogenase 1.5.1.6 0.706
3rhj NAPCytosolic 10-formyltetrahydrofolate dehydrogenase 1.5.1.6 0.702
4zuk NADAlpha-aminoadipic semialdehyde dehydrogenase 1.2.1.31 0.702
2imp NAILactaldehyde dehydrogenase 1.2.1.22 0.701
2o2r NDPCytosolic 10-formyltetrahydrofolate dehydrogenase 1.5.1.6 0.700
4a0m NADBetaine aldehyde dehydrogenase, chloroplastic 1.2.1.8 0.699
4pt3 NDPAldehyde dehydrogenase / 0.697
4pxn NADAldehyde dehydrogenase family 7 member B4 / 0.695
3rho NAPCytosolic 10-formyltetrahydrofolate dehydrogenase 1.5.1.6 0.694
2o2q NAPCytosolic 10-formyltetrahydrofolate dehydrogenase 1.5.1.6 0.693
2bhp NAD1-pyrroline-5-carboxylate dehydrogenase / 0.692
3efv NADPutative succinate-semialdehyde dehydrogenase / 0.686
4oe2 NAD2-aminomuconate 6-semialdehyde dehydrogenase / 0.682
4gnz NAPCytosolic 10-formyltetrahydrofolate dehydrogenase 1.5.1.6 0.679
4i1w NAD2-aminomuconate 6-semialdehyde dehydrogenase / 0.677
2wme NAPNAD/NADP-dependent betaine aldehyde dehydrogenase / 0.671
4h73 NDPAldehyde dehydrogenase / 0.669
4oe4 NADDelta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial 1.2.1.88 0.669
4v37 NADBetaine aldehyde dehydrogenase, chloroplastic 1.2.1.8 0.667
4zvy NADAlpha-aminoadipic semialdehyde dehydrogenase 1.2.1.31 0.665
3v9l NADDelta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial 1.2.1.88 0.659
1uxn NAPNAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase / 0.656
1bi9 NADRetinal dehydrogenase 2 / 0.652
2onm ADPAldehyde dehydrogenase, mitochondrial 1.2.1.3 0.651