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 |
|---|---|---|---|
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3kjs | DQ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 1.000 | |
| 3inv | C50 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.633 | |
| 3qlz | QLZ | Uncharacterized protein | / | 0.592 | |
| 3qgt | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.589 | |
| 3cse | N22 | Uncharacterized protein | / | 0.584 | |
| 3eel | 53T | Uncharacterized protein | / | 0.579 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.573 | |
| 3qlx | QLR | Uncharacterized protein | / | 0.572 | |
| 3eek | 53S | Uncharacterized protein | / | 0.570 | |
| 1vj3 | TAB | Dihydrofolate reductase | 1.5.1.3 | 0.569 | |
| 3eem | 53V | Uncharacterized protein | / | 0.569 | |
| 3eej | 53R | Uncharacterized protein | / | 0.567 | |
| 3um6 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.565 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.561 | |
| 4ixe | IXE | Dihydrofolate reductase | 1.5.1.3 | 0.559 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.558 | |
| 2w3v | TOP | Dihydrofolate reductase | / | 0.553 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.549 | |
| 3qly | 55V | Uncharacterized protein | / | 0.549 | |
| 2fzh | DH1 | Dihydrofolate reductase | 1.5.1.3 | 0.547 | |
| 1j3i | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.545 | |
| 3td8 | D2R | Dihydrofolate reductase | 1.5.1.3 | 0.545 | |
| 3um5 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.545 | |
| 1cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.543 | |
| 1j3j | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.543 | |
| 3qlw | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.543 | |
| 3iro | 2CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.539 | |
| 1m78 | CLZ | Dihydrofolate reductase | 1.5.1.3 | 0.536 | |
| 3ia4 | MTX | Dihydrofolate reductase | / | 0.535 | |
| 1m7a | MQU | Dihydrofolate reductase | 1.5.1.3 | 0.534 | |
| 4h96 | 14Q | Dihydrofolate reductase | 1.5.1.3 | 0.534 | |
| 1rx3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.532 | |
| 2zza | FOL | Dihydrofolate reductase | / | 0.530 | |
| 3jsu | KA5 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.529 | |
| 3qls | 55V | Dihydrofolate reductase | 1.5.1.3 | 0.529 | |
| 4p66 | MTX | Dihydrofolate reductase | / | 0.529 | |
| 2bl9 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.528 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.527 | |
| 1aoe | GW3 | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 3clb | TMQ | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.525 | |
| 4h97 | 53S | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 3srq | Q19 | Dihydrofolate reductase | 1.5.1.3 | 0.523 | |
| 3dga | RJ1 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.520 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.520 | |
| 2blc | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.519 | |
| 3jwm | 5WB | Dihydrofolate reductase | / | 0.517 | |
| 4cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.517 | |
| 4dph | P65 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.517 | |
| 1j3k | WRA | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.516 | |
| 1daj | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 1dg7 | WRB | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 2cd2 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 4h95 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.514 | |
| 1dg5 | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.513 | |
| 1df7 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.511 | |
| 3qlr | QLR | Dihydrofolate reductase | 1.5.1.3 | 0.510 | |
| 1ia2 | TQ4 | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 4ixf | IXF | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 1e26 | GPB | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.508 | |
| 3um8 | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.507 | |
| 1dds | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.506 | |
| 3dfr | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.506 | |
| 3sa2 | 7DR | Dihydrofolate reductase | / | 0.505 | |
| 4dp3 | MMV | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.503 | |
| 1s3y | TQT | Dihydrofolate reductase | 1.5.1.3 | 0.502 | |
| 1ia1 | TQ3 | Dihydrofolate reductase | 1.5.1.3 | 0.500 | |
| 3cd2 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.498 | |
| 3frd | DHF | Dihydrofolate reductase | 1.5.1.3 | 0.497 | |
| 3jwc | EKB | Dihydrofolate reductase | / | 0.497 | |
| 3jw5 | TOP | Dihydrofolate reductase | / | 0.496 | |
| 2drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.495 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.494 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.492 | |
| 2blb | CP7 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.491 | |
| 4ele | 31I | Dihydrofolate reductase | / | 0.489 | |
| 1ly3 | COG | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 4xe6 | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.488 | |
| 1klk | PMD | Dihydrofolate reductase | 1.5.1.3 | 0.487 | |
| 1drb | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 4m2x | TMQ | Dihydrofolate reductase | 1.5.1.3 | 0.483 | |
| 3r33 | 6ME | Dihydrofolate reductase | 1.5.1.3 | 0.480 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.480 | |
| 3fre | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.479 | |
| 1m79 | MQ1 | Dihydrofolate reductase | 1.5.1.3 | 0.478 | |
| 1re7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.477 | |
| 2bla | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.472 | |
| 3sa1 | 6DR | Dihydrofolate reductase | / | 0.472 | |
| 4g8z | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 4kd7 | 9DR | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.470 | |
| 3fl8 | RAR | Dihydrofolate reductase | / | 0.469 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.468 | |
| 1hfp | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 3iqz | H4M | F420-dependent methylenetetrahydromethanopterin dehydrogenase | 1.5.98.1 | 0.467 | |
| 3tqb | FOL | Dihydrofolate reductase | / | 0.467 | |
| 4nx7 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.466 | |
| 3dg8 | RJ6 | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.465 | |
| 3fyw | XCF | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3dau | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.464 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 4ixg | IXG | Dihydrofolate reductase | 1.5.1.3 | 0.463 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.460 | |
| 4kak | 06U | Dihydrofolate reductase | 1.5.1.3 | 0.459 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 3iqf | E4M | F420-dependent methylenetetrahydromethanopterin dehydrogenase | 1.5.98.1 | 0.458 | |
| 3tq9 | MTX | Dihydrofolate reductase | / | 0.458 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.455 | |
| 5ai5 | BSU | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.453 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3fra | I2H | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 4nx6 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 1ly4 | COQ | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 3sh2 | 5DR | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4nb6 | 444 | Nuclear receptor ROR-gamma | / | 0.450 | |
| 3i8a | N22 | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4f4d | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.449 | |
| 3cv9 | VDX | Vitamin D3 dihydroxylase | / | 0.447 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.447 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 2w3w | VG9 | Dihydrofolate reductase | / | 0.446 | |
| 3aba | FLI | Cytochrome P450 | / | 0.446 | |
| 3iqe | H4M | F420-dependent methylenetetrahydromethanopterin dehydrogenase | 1.5.98.1 | 0.446 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.446 | |
| 4xwt | U5P | Ribonuclease J | / | 0.446 | |
| 1rc4 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.445 | |
| 4l8u | 9AZ | Serum albumin | / | 0.445 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4kjj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 4elb | 34S | Dihydrofolate reductase | / | 0.442 | |
| 1e1k | FAD | NADPH:adrenodoxin oxidoreductase, mitochondrial | 1.18.1.6 | 0.441 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 2z97 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 3ant | S82 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.440 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.440 | |
| 4ia7 | BIV | Vitamin D3 receptor A | / | 0.440 |