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 Sites are compared using Shaper.
For more information, please see the following publication:
Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4zuk | NAD | Alpha-aminoadipic semialdehyde dehydrogenase | 1.2.1.31 | 1.000 | |
| 4pxn | NAD | Aldehyde dehydrogenase family 7 member B4 | / | 0.566 | |
| 3rhh | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.562 | |
| 1bpw | NAD | Betaine aldehyde dehydrogenase | 1.2.1.8 | 0.559 | |
| 1uxn | NAP | NAD(P)-dependent glyceraldehyde-3-phosphate dehydrogenase | / | 0.559 | |
| 2esd | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.546 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.541 | |
| 1qi1 | NAP | NADP-dependent glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.9 | 0.538 | |
| 3lns | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.533 | |
| 1nzx | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.531 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.528 | |
| 2ehq | NAP | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.527 | |
| 3v9l | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.523 | |
| 3rhd | NAP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.519 | |
| 2onm | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.518 | |
| 1bxs | NAD | Retinal dehydrogenase 1 | 1.2.1.36 | 0.517 | |
| 4fr8 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.511 | |
| 4h73 | NDP | Aldehyde dehydrogenase | / | 0.510 | |
| 3lv1 | NAP | NAD(P)-dependent benzaldehyde dehydrogenase | 1.2.1.28 | 0.509 | |
| 4x2q | NAD | Retinal dehydrogenase 2 | 1.2.1.36 | 0.509 | |
| 4wb9 | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.505 | |
| 1o02 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.504 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.504 | |
| 3haz | NAD | Bifunctional protein PutA | / | 0.504 | |
| 3iwj | NAD | Aminoaldehyde dehydrogenase | / | 0.504 | |
| 2onp | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.503 | |
| 2o2q | NAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.499 | |
| 4ihi | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.499 | |
| 4nmj | NAP | Aldehyde dehydrogenase | / | 0.499 | |
| 1nzz | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.498 | |
| 2y5d | NAP | 3,4-dehydroadipyl-CoA semialdehyde dehydrogenase | / | 0.498 | |
| 3iwk | NAD | Aminoaldehyde dehydrogenase | / | 0.498 | |
| 4pz2 | NAD | Aldehyde dehydrogenase 2-6 | / | 0.497 | |
| 4itb | NDP | Succinate-semialdehyde dehydrogenase | / | 0.496 | |
| 3n82 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.492 | |
| 4pxl | NAD | Aldehyde dehydrogenase3 | / | 0.492 | |
| 4x4l | NAI | Retinal dehydrogenase 1 | 1.2.1.36 | 0.492 | |
| 2wme | NAP | NAD/NADP-dependent betaine aldehyde dehydrogenase | / | 0.490 | |
| 4a0m | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.490 | |
| 4v37 | NAD | Betaine aldehyde dehydrogenase, chloroplastic | 1.2.1.8 | 0.490 | |
| 3n83 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.489 | |
| 2j5n | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.488 | |
| 2onm | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.488 | |
| 4fqf | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.487 | |
| 4nmk | NAP | Aldehyde dehydrogenase | / | 0.485 | |
| 2bhp | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.483 | |
| 2j40 | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.483 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.481 | |
| 2eii | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.481 | |
| 4oe2 | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.479 | |
| 2ilu | NDP | Lactaldehyde dehydrogenase | 1.2.1.22 | 0.478 | |
| 1nzw | NAI | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.477 | |
| 4go2 | TAP | Cytosolic 10-formyltetrahydrofolate dehydrogenase | 1.5.1.6 | 0.475 | |
| 1o01 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.473 | |
| 2ehu | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.473 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.471 | |
| 1o00 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.471 | |
| 1o04 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.470 | |
| 3efv | NAD | Putative succinate-semialdehyde dehydrogenase | / | 0.469 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.465 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.464 | |
| 4pt0 | NAD | Aldehyde dehydrogenase | / | 0.464 | |
| 1osv | CHC | Bile acid receptor | / | 0.462 | |
| 3vsp | EK8 | Peroxisome proliferator-activated receptor gamma | / | 0.460 | |
| 4bqu | CLR | Japanin | / | 0.460 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.460 | |
| 4oe4 | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.460 | |
| 2d4e | NAD | 5-carboxymethyl-2-hydroxymuconate semialdehyde dehydrogenaseiheyensis HTE831] | / | 0.459 | |
| 4wa9 | AXI | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.458 | |
| 3vn2 | TLS | Peroxisome proliferator-activated receptor gamma | / | 0.457 | |
| 3w0c | 6DS | Vitamin D3 receptor | / | 0.457 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.452 | |
| 4jdc | NAD | Probable pyrroline-5-carboxylate dehydrogenase RocA | / | 0.451 | |
| 2q5p | 241 | Peroxisome proliferator-activated receptor gamma | / | 0.449 | |
| 3ldf | SAH | Uncharacterized protein | / | 0.449 | |
| 5kf8 | ACO | Predicted acetyltransferase | / | 0.448 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.446 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.445 | |
| 2zb8 | IMN | Prostaglandin reductase 2 | 1.3.1.48 | 0.444 | |
| 3v9y | 24L | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
| 4i1w | NAD | 2-aminomuconate 6-semialdehyde dehydrogenase | / | 0.443 | |
| 5kgj | ACO | Predicted acetyltransferase | / | 0.443 | |
| 1fm9 | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 1rdt | 570 | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.442 | |
| 5kf9 | ACO | Predicted acetyltransferase | / | 0.441 | |
| 4iui | 1GQ | Estrogen receptor | / | 0.440 |