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 |
|---|---|---|---|
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.814 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.808 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.748 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.663 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.654 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.637 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.625 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.616 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.599 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.597 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.591 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.589 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.588 | |
| 3cse | N22 | Uncharacterized protein | / | 0.583 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.581 | |
| 3eel | 53T | Uncharacterized protein | / | 0.577 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.570 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.565 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.565 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.564 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.563 | |
| 3eek | 53S | Uncharacterized protein | / | 0.561 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.559 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.553 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.553 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.550 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.547 | |
| 3qly | 55V | Uncharacterized protein | / | 0.547 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.544 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.543 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.543 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.542 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.535 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.533 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.533 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.530 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.528 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.528 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.528 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.528 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.528 | |
| 3eej | 53R | Uncharacterized protein | / | 0.527 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.527 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.524 | |
| 3eem | 53V | Uncharacterized protein | / | 0.524 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.523 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.523 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.518 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.517 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.517 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.516 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.516 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.514 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.513 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.511 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.510 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.506 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.505 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.504 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.503 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.503 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.501 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.498 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.497 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 3r33 | 6ME | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.493 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.490 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.490 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.489 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.488 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 3fy9 | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.485 | |
| 1dra | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.483 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 3och | 2MX | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.480 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.479 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.473 | |
| 4o76 | 1M3 | Bromodomain-containing protein 4 | / | 0.473 | |
| 3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 3koo | 24D | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.472 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.471 | |
| 1jol | FFO | Dihydrofolate reductase | 1.5.1.3 | 0.470 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.469 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.469 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.467 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.466 | |
| 3dg8 | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.466 | |
| 4fgh | 0U6 | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 4ib4 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.466 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.465 | |
| 1enz | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.464 | |
| 1rf7 | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 3gwf | NAP | Cyclohexanone monooxygenase | / | 0.463 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 3aba | FLI | Cytochrome P450 | / | 0.460 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.460 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.460 | |
| 3fyv | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 4ia1 | BIV | Vitamin D3 receptor A | / | 0.459 | |
| 1ddr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1dg8 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 4x5j | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.456 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.455 | |
| 3qyo | Q24 | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.454 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.454 | |
| 3sai | 9DR | Dihydrofolate reductase | / | 0.453 | |
| 3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
| 3ans | S38 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.452 | |
| 3zhb | NAP | Putative dehydrogenase | / | 0.452 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.452 | |
| 4kne | 1CY | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.450 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4euf | NAD | Trans-2-enoyl-CoA reductase [NADH] | / | 0.450 | |
| 4g95 | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1dhj | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.449 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.449 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.446 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.446 | |
| 4fjy | FJY | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1pp9 | SMA | Cytochrome b | / | 0.444 | |
| 1q5d | EPB | Epothilone C/D epoxidase | 1.14 | 0.444 | |
| 1zga | HMK | Isoflavone 4'-O-methyltransferase | / | 0.444 | |
| 3sru | Q26 | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.443 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.443 | |
| 3hbb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.442 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.441 | |
| 2e9c | B75 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.441 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.441 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.441 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 2ze2 | T27 | Gag-Pol polyprotein | 2.7.7.49 | 0.440 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
| 4nkv | AER | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.440 |