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 |
|---|---|---|---|
| 4pt0 | NAD | Aldehyde dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 1.101 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.925 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.909 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.900 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.888 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.872 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.867 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.859 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.850 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.833 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.801 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.796 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.792 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.775 | |
| 3rhq | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.772 | |
| 1o9j | NAD | Aldehyde dehydrogenase, cytosolic 1 | 1.2.1.3 | 0.766 | |
| 4i8q | NAD | Putative betaine aldehyde dehyrogenase | / | 0.766 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.765 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.763 | |
| 3rhr | NDP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.758 | |
| 3rhj | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.757 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.754 | |
| 3rhl | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.752 | |
| 3rho | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.751 | |
| 1bi9 | NAD | Retinal dehydrogenase 2 | / | 0.743 | |
| 1wnb | NAI | Gamma-aminobutyraldehyde dehydrogenase | 1.2.1.19 | 0.743 | |
| 3b4w | NAD | Aldehyde dehydrogenase family protein | / | 0.742 | |
| 4f3x | NAD | Putative aldehyde dehydrogenase | / | 0.734 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.731 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.729 | |
| 4i3w | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.725 | |
| 2o2r | NDP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.723 | |
| 4i9b | NAD | Putative betaine aldehyde dehyrogenase | / | 0.723 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.721 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.721 | |
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.719 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.717 | |
| 1t90 | NAD | Malonate-semialdehyde dehydrogenase | 1.2.1.27 | 0.716 | |
| 4gnz | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.716 | |
| 2qe0 | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.715 | |
| 4oe4 | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.713 | |
| 2j6l | NAI | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.712 | |
| 2o2q | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.712 | |
| 2imp | NAI | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.708 | |
| 5eyu | NAD | Betaine-aldehyde dehydrogenase | / | 0.706 | |
| 3efv | NAD | Putative succinate-semialdehyde dehydrogenase | / | 0.705 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.703 | |
| 2w8r | ADP | Succinate-semialdehyde dehydrogenase, mitochondrial | 1.2.1.24 | 0.697 | |
| 2y5d | NAP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase | / | 0.697 | |
| 4go2 | TAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.697 | |
| 4ihi | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.697 | |
| 4pt3 | NDP | Aldehyde dehydrogenase | / | 0.692 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.690 | |
| 1a4z | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.689 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.688 | |
| 2jg7 | NAD | Antiquitin | / | 0.685 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.684 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.682 | |
| 4itb | NDP | Succinate-semialdehyde dehydrogenase | / | 0.682 | |
| 5dib | NAD | Betaine-aldehyde dehydrogenase | / | 0.680 | |
| 2y53 | NAP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase | / | 0.676 | |
| 4zvy | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 0.671 | |
| 2d4e | NAD | 5-carboxymethyl-2-hydroxymuconate semialdehyde dehydrogenaseiheyensis HTE831] | / | 0.670 | |
| 3zqa | NDP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.667 | |
| 1uxp | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.662 | |
| 1uxr | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.657 | |
| 3lns | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.657 | |
| 4i8p | NAD | Aminoaldehyde dehydrogenase 1 | / | 0.655 | |
| 2eit | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.654 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.652 |