sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
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
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.910 | |
| 4i3w | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.890 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.783 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.781 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.763 | |
| 4i8q | NAD | Putative betaine aldehyde dehyrogenase | / | 0.763 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.758 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.756 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.755 | |
| 2jg7 | NAD | Antiquitin | / | 0.753 | |
| 1t90 | NAD | Malonate-semialdehyde dehydrogenase | 1.2.1.27 | 0.750 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.750 | |
| 2j6l | NAI | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.749 | |
| 2euh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.748 | |
| 2qe0 | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.748 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.746 | |
| 4oe4 | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.746 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.745 | |
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.745 | |
| 4ihi | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.742 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.740 | |
| 2imp | NAI | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.738 | |
| 4f3x | NAD | Putative aldehyde dehydrogenase | / | 0.738 | |
| 4jdc | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.738 | |
| 3rho | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.737 | |
| 3b4w | NAD | Aldehyde dehydrogenase family protein | / | 0.736 | |
| 3efv | NAD | Putative succinate-semialdehyde dehydrogenase | / | 0.728 | |
| 3rhr | NDP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.728 | |
| 3rhq | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.727 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.727 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.724 | |
| 3rhl | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.724 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.722 | |
| 1a4z | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.721 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.721 | |
| 2o2r | NDP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.720 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.720 | |
| 4go2 | TAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.720 | |
| 2o2q | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.718 | |
| 2id2 | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.717 | |
| 1bi9 | NAD | Retinal dehydrogenase 2 | / | 0.716 | |
| 3rhd | NAP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.714 | |
| 3rhj | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.712 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.711 | |
| 4pxn | NAD | Aldehyde dehydrogenase family 7 member B4 | / | 0.711 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.710 | |
| 1uxr | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.708 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.706 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.706 | |
| 4i9b | NAD | Putative betaine aldehyde dehyrogenase | / | 0.704 | |
| 1o9j | NAD | Aldehyde dehydrogenase, cytosolic 1 | 1.2.1.3 | 0.701 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.700 | |
| 4zvy | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.700 | |
| 2eit | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.699 | |
| 4i8p | NAD | Aminoaldehyde dehydrogenase 1 | / | 0.698 | |
| 4nmk | NAP | Aldehyde dehydrogenase | / | 0.697 | |
| 4gnz | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.694 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.694 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.690 | |
| 1uxt | NAD | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.689 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.688 | |
| 2w8r | ADP | Succinate-semialdehyde dehydrogenase, mitochondrial | 1.2.1.24 | 0.687 | |
| 2y5d | NAP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase | / | 0.687 | |
| 2wme | NAP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.683 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.682 | |
| 1wnb | NAI | Gamma-aminobutyraldehyde dehydrogenase | 1.2.1.19 | 0.681 | |
| 1uxv | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.679 | |
| 4itb | NDP | Succinate-semialdehyde dehydrogenase | / | 0.679 | |
| 4zz7 | NAD | Methylmalonate-semialdehyde dehydrogenase | / | 0.679 | |
| 3zqa | NDP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.675 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.674 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.673 | |
| 1uxp | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.669 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.668 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.666 | |
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.664 | |
| 1i6l | TYM | Tryptophan--tRNA ligase | 6.1.1.2 | 0.662 | |
| 3onw | GDP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 0.660 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.659 | |
| 5a3b | APR | SIR2 family protein | / | 0.655 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.654 | |
| 1uxu | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.654 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.654 | |
| 4k38 | SAM | Anaerobic sulfatase-maturating enzyme | 1.8.98 | 0.654 | |
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.654 | |
| 3iob | A4D | Pantothenate synthetase | 6.3.2.1 | 0.653 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.652 | |
| 2j7p | GNP | Signal recognition particle protein | / | 0.652 | |
| 2j7p | GNP | Signal recognition particle receptor FtsY | / | 0.652 | |
| 1evj | NAD | Glucose--fructose oxidoreductase | 1.1.99.28 | 0.651 | |
| 4k39 | SAM | Anaerobic sulfatase-maturating enzyme | 1.8.98 | 0.651 | |
| 5a03 | NDP | Glucose-fructose oxidoreductase | / | 0.651 | |
| 4n3c | UD1 | UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | / | 0.650 | |
| 5a04 | NDP | Glucose-fructose oxidoreductase | / | 0.650 | |
| 5a05 | NDP | Glucose-fructose oxidoreductase | / | 0.650 |