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 |
|---|---|---|---|
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.671 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.667 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.664 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.659 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.641 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.626 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.624 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.593 | |
| 3qly | 55V | Uncharacterized protein | / | 0.585 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.585 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.581 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.580 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.578 | |
| 3cse | N22 | Uncharacterized protein | / | 0.577 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.574 | |
| 3eem | 53V | Uncharacterized protein | / | 0.569 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.567 | |
| 3eej | 53R | Uncharacterized protein | / | 0.565 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.562 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.559 | |
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.558 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.558 | |
| 3eek | 53S | Uncharacterized protein | / | 0.557 | |
| 3eel | 53T | Uncharacterized protein | / | 0.551 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.544 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.544 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.542 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.541 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.540 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.534 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.531 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.530 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.526 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.526 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.523 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.522 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.522 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.522 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.521 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.519 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.517 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.516 | |
| 3qfx | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.516 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.514 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.509 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.507 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.506 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.505 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.500 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.499 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.496 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.495 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.494 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.493 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.492 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.491 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.490 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.489 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.486 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.481 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.478 | |
| 3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.478 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.475 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.471 | |
| 1q5d | EPB | Epothilone C/D epoxidase | 1.14 | 0.470 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.469 | |
| 3koo | 24D | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.469 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.468 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.467 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.466 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 1rc4 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 7dfr | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3mdv | CL6 | Cholesterol 24-hydroxylase | / | 0.464 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 3k47 | D09 | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.462 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.462 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.461 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.461 | |
| 3ans | S38 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.460 | |
| 4fgh | 0U6 | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 3kpz | ZNE | Vitamin D3 receptor | / | 0.459 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.459 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.457 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.457 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3bfa | 9OD | Odorant binding protein ASP1 | / | 0.456 | |
| 1dg8 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 3aba | FLI | Cytochrome P450 | / | 0.455 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 4jlj | 1NM | Deoxycytidine kinase | 2.7.1.74 | 0.455 | |
| 4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.454 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.452 | |
| 1ek2 | CDU | Bifunctional epoxide hydrolase 2 | / | 0.451 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.451 | |
| 4j03 | FVS | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.451 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.450 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 1soj | IBM | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.449 | |
| 3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4ib4 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.449 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 3dho | B2M | Streptogramin A acetyltransferase | 2.3.1 | 0.448 | |
| 3vt5 | YI2 | Vitamin D3 receptor | / | 0.448 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.447 | |
| 4fjy | FJY | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.447 | |
| 2c7x | NRB | Cytochrome P450 monooxygenase PikC | / | 0.446 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.446 | |
| 4ia1 | BIV | Vitamin D3 receptor A | / | 0.446 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.446 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 3frf | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.445 | |
| 4l9q | 9TP | Serum albumin | / | 0.445 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.445 | |
| 2qd5 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.444 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.444 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.444 | |
| 3lfc | Z86 | Mitogen-activated protein kinase 14 | / | 0.444 | |
| 4hw3 | 19G | Induced myeloid leukemia cell differentiation protein Mcl-1 | / | 0.444 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1fp2 | HMO | Isoflavone-7-O-methyltransferase 8 | 2.1.1.150 | 0.443 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.443 | |
| 3srr | Q20 | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 3srw | Q27 | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4dvq | 1CA | Cytochrome P450 11B2, mitochondrial | 1.14.15.4 | 0.443 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.443 | |
| 2dub | CO8 | Enoyl-CoA hydratase, mitochondrial | 4.2.1.17 | 0.442 | |
| 3sai | 9DR | Dihydrofolate reductase | / | 0.442 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.442 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.442 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.441 | |
| 3h1j | SMA | Cytochrome b | / | 0.441 | |
| 3s79 | ASD | Aromatase | 1.14.14.14 | 0.441 | |
| 4egn | TWO | Cytochrome P450 | / | 0.441 | |
| 1ppj | SMA | Cytochrome b | / | 0.440 | |
| 3nj0 | PYV | Abscisic acid receptor PYL2 | / | 0.440 | |
| 3qm4 | PN0 | Cytochrome P450 2D6 | / | 0.440 |