sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Cavities 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
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1drh | NAP | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1drh | NAP | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 1rx1 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.622 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.604 | |
| 1ia1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.585 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.579 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.576 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.570 | |
| 4m6j | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.565 | |
| 1m78 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.555 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.554 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.543 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.539 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.536 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.531 | |
| 3tqa | NDP | Dihydrofolate reductase | / | 0.529 | |
| 4kl9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.529 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.528 | |
| 1dg8 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.527 | |
| 3kjr | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.526 | |
| 1ra8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 1rx8 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.522 | |
| 3eig | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.522 | |
| 3s3v | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.520 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.519 | |
| 3hbb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.517 | |
| 1j3j | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.516 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.513 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.509 | |
| 5ecc | NAP | Dehydrofolate reductase type I | / | 0.509 | |
| 2w3b | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.506 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.502 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.499 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.498 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.498 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 1j3k | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.495 | |
| 1ra3 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.483 | |
| 1bzf | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1dis | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 2w9h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 1rx8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 4ej1 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 1u71 | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 4gl4 | NAI | Alcohol dehydrogenase class-3 | / | 0.476 | |
| 1dyh | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.474 | |
| 1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 1rd7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.473 | |
| 3dg8 | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.473 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.471 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 2d0k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 1rx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 1rx5 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.458 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1dyi | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 4jji | NAD | Alcohol dehydrogenase class-3 | / | 0.456 | |
| 1dyj | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 4wuo | NAD | 3-isopropylmalate dehydrogenase | 1.1.1.85 | 0.455 | |
| 1rsz | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.454 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.454 | |
| 8dfr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.453 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.452 | |
| 1ma0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.451 | |
| 1ra3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3s7a | 684 | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4l4x | NDP | AmphI | / | 0.451 | |
| 4qi9 | MTX | Dihydrofolate reductase | / | 0.451 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.450 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4iql | FMN | Enoyl-(Acyl-carrier-protein) reductase II | / | 0.449 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.447 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.447 | |
| 5hi6 | MTX | Dihydrofolate reductase | / | 0.447 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.446 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.445 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.444 | |
| 4x5h | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1kbo | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.443 | |
| 4elb | 34R | Dihydrofolate reductase | / | 0.443 | |
| 5e5h | 0T1 | Succinyl-CoA:acetate CoA-transferase | / | 0.443 | |
| 1dhi | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1tdr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1e3e | NAI | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.440 | |
| 1h69 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 4x5i | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 |