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 |
|---|---|---|---|
| 3nu0 | 3TU | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3nu0 | 3TU | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.671 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.591 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.584 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.574 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.574 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.570 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.567 | |
| 4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.555 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.552 | |
| 4kfj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.541 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.535 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.528 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.527 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.521 | |
| 1drf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.519 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.518 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.515 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.513 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.501 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 3k45 | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.492 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3nxr | D2D | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.480 | |
| 1dls | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 1u70 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.471 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.470 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.468 | |
| 3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 1dhf | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3ufl | 508 | Beta-secretase 1 | 3.4.23.46 | 0.465 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.465 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.464 | |
| 2wjo | QUD | Beta-secretase 1 | 3.4.23.46 | 0.463 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.460 | |
| 3hxe | BD8 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.459 | |
| 3nxv | D2F | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2wnb | C5P | CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 1 | 2.4.99.4 | 0.455 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.454 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 4gts | 7TP | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.453 | |
| 1w06 | W05 | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 2gvc | FAD | Thiol-specific monooxygenase | 1.14.13 | 0.452 | |
| 5std | UNN | Scytalone dehydratase | 4.2.1.94 | 0.452 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 3hxc | BD6 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.451 | |
| 3pz3 | PZ3 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.451 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 3mau | PLR | Putative sphingosine-1-phosphate lyase | / | 0.449 | |
| 3rvi | RVI | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 1q0r | AKT | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.448 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.448 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.447 | |
| 1pd8 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1ygj | RMC | Pyridoxal kinase | 2.7.1.35 | 0.445 | |
| 3c72 | CX1 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.445 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.445 | |
| 1yhj | R6C | Pyridoxal kinase | 2.7.1.35 | 0.444 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.443 | |
| 3qly | 55V | Uncharacterized protein | / | 0.443 | |
| 3tky | N7I | (Iso)eugenol O-methyltransferase | 2.1.1.146 | 0.443 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 1fdw | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.442 | |
| 2ovv | PFH | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 4k36 | SAM | Anaerobic sulfatase-maturating enzyme | 1.8.98 | 0.442 | |
| 4djv | 0KM | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.440 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.440 |