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 |
|---|---|---|---|
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1boz | PRD | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.695 | |
| 1s3w | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.670 | |
| 4ddr | MMV | Dihydrofolate reductase | 1.5.1.3 | 0.633 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.611 | |
| 4kfj | 1R0 | Dihydrofolate reductase | 1.5.1.3 | 0.608 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.589 | |
| 2w3a | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.580 | |
| 1pd8 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.579 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.570 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.568 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.566 | |
| 3nxr | D2D | Dihydrofolate reductase | 1.5.1.3 | 0.564 | |
| 3nxo | D2B | Dihydrofolate reductase | 1.5.1.3 | 0.563 | |
| 1u72 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.562 | |
| 3nxt | D2E | Dihydrofolate reductase | 1.5.1.3 | 0.555 | |
| 3cse | N22 | Uncharacterized protein | / | 0.544 | |
| 3nxy | D2H | Dihydrofolate reductase | 1.5.1.3 | 0.543 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.540 | |
| 3nxv | D2F | Dihydrofolate reductase | 1.5.1.3 | 0.537 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.533 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.530 | |
| 3eig | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.526 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.525 | |
| 4qjc | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 1dr4 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.523 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.522 | |
| 3qly | 55V | Uncharacterized protein | / | 0.521 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.520 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.519 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.519 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.519 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.518 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.517 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 3eek | 53S | Uncharacterized protein | / | 0.508 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.507 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.507 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.506 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.506 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.506 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.503 | |
| 1ohj | COP | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.501 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.501 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.501 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.500 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.497 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.496 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.496 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.492 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.490 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.489 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.488 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.488 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.485 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.480 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.479 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 3gi2 | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.475 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.475 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.474 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.471 | |
| 3eem | 53V | Uncharacterized protein | / | 0.471 | |
| 3rg9 | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.471 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 1dr3 | HBI | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.470 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 3dg8 | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.468 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.468 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3sai | 9DR | Dihydrofolate reductase | / | 0.466 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.465 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.465 | |
| 4z64 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.465 | |
| 1s3v | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.464 | |
| 1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.463 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 3eel | 53T | Uncharacterized protein | / | 0.463 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.462 | |
| 3eej | 53R | Uncharacterized protein | / | 0.462 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.461 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 2nq8 | ZID | Enoyl-ACP reductase | / | 0.460 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 4p68 | MTX | Dihydrofolate reductase | / | 0.460 | |
| 4qa0 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.460 | |
| 3i8a | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.459 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.458 | |
| 4z34 | ON7 | Lysophosphatidic acid receptor 1 | / | 0.458 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 3is9 | AC7 | Gag-Pol polyprotein | 2.7.7.49 | 0.457 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2ojg | 19A | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.456 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.455 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.455 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 5ccc | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 1cul | FOK | Adenylate cyclase type 2 | / | 0.454 | |
| 1cul | FOK | Adenylate cyclase type 5 | / | 0.454 | |
| 1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.454 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.454 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.454 | |
| 3p3z | P3Z | Putative cytochrome P450 | / | 0.454 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.454 | |
| 4z63 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.454 | |
| 1dlr | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.451 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.451 | |
| 3iak | EV1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.450 | |
| 4kp6 | 1S1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.450 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4mv1 | ADP | Biotin carboxylase | 6.3.4.14 | 0.450 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 3ssn | MVI | Mycinamicin VI 2''-O-methyltransferase | / | 0.449 | |
| 1fml | RTL | Retinol dehydratase | / | 0.448 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 2zce | PYL | Pyrrolysine--tRNA ligase | / | 0.448 | |
| 3hv3 | R49 | Mitogen-activated protein kinase 14 | / | 0.448 | |
| 4cdm | FO1 | Deoxyribodipyrimidine photolyase | / | 0.448 | |
| 1mvt | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 3ml8 | ML8 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.447 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 3cgd | COA | Coenzyme A disulfide reductase | / | 0.446 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.446 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 2ddo | ATP | Pyridoxine/pyridoxal/pyridoxamine kinase | / | 0.445 | |
| 2rkv | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.445 | |
| 3tq8 | TOP | Dihydrofolate reductase | / | 0.445 | |
| 4few | PP2 | Aminoglycoside 3'-phosphotransferase AphA1-IAB | / | 0.445 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.445 | |
| 1e7v | LY2 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 1f20 | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.444 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.444 | |
| 3lfc | Z86 | Mitogen-activated protein kinase 14 | / | 0.444 | |
| 3mee | T27 | Gag-Pol polyprotein | 2.7.7.49 | 0.444 | |
| 4g1z | 0VP | Vitamin D3 receptor A | / | 0.444 | |
| 1l8q | ADP | Chromosomal replication initiator protein DnaA | / | 0.443 | |
| 1uxj | NAD | Malate dehydrogenase | / | 0.443 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.443 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.443 | |
| 2ea1 | GPG | Ribonuclease I | 3.1.27.6 | 0.443 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3nd1 | SAH | Precorrin-6A synthase (Deacetylating) | / | 0.443 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.443 | |
| 3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.443 | |
| 4ykg | NAD | Alkyl hydroperoxide reductase subunit F | 1.8.1 | 0.443 | |
| 1eio | GCH | Gastrotropin | / | 0.442 | |
| 1szm | BI4 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 3ans | S38 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.442 | |
| 3c49 | KU8 | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.442 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1qvu | PRL | HTH-type transcriptional regulator QacR | / | 0.441 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.441 | |
| 1vzd | CB3 | Thymidylate synthase | / | 0.441 | |
| 2aq7 | TL5 | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.441 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2xvi | FAD | Putative flavin-containing monooxygenase | / | 0.441 | |
| 3cge | NDP | Coenzyme A disulfide reductase | / | 0.441 | |
| 3h3s | H15 | Collagen type IV alpha-3-binding protein | / | 0.441 | |
| 4ia1 | BIV | Vitamin D3 receptor A | / | 0.441 | |
| 2q7g | CCL | Pyrrolysine--tRNA ligase | / | 0.440 | |
| 4qa2 | SHH | Histone deacetylase 8 | 3.5.1.98 | 0.440 |