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 |
|---|---|---|---|
| 4hu1 | V13 | Carbonic anhydrase 13 | 4.2.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4hu1 | V13 | Carbonic anhydrase 13 | 4.2.1.1 | 1.000 | |
| 4knn | E1F | Carbonic anhydrase 13 | 4.2.1.1 | 0.594 | |
| 4knm | E1E | Carbonic anhydrase 13 | 4.2.1.1 | 0.540 | |
| 1bn1 | AL5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.538 | |
| 2x7u | WZA | Carbonic anhydrase 2 | 4.2.1.1 | 0.532 | |
| 1zsb | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.529 | |
| 3dc3 | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.525 | |
| 3mdz | EZL | Carbonic anhydrase 7 | 4.2.1.1 | 0.523 | |
| 1i8z | INL | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 2weh | FB1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 3daz | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 3qyk | IE2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 1ttm | 667 | Carbonic anhydrase 2 | 4.2.1.1 | 0.521 | |
| 1bnn | AL1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.520 | |
| 1g54 | FFB | Carbonic anhydrase 2 | 4.2.1.1 | 0.520 | |
| 4ilx | 1EZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.517 | |
| 3d9z | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.516 | |
| 3nb5 | R21 | Carbonic anhydrase 2 | 4.2.1.1 | 0.514 | |
| 1if6 | FBU | Carbonic anhydrase 2 | 4.2.1.1 | 0.510 | |
| 4pxx | CHD | Carbonic anhydrase 2 | 4.2.1.1 | 0.510 | |
| 4kap | 1QV | Carbonic anhydrase 2 | 4.2.1.1 | 0.509 | |
| 1a42 | BZU | Carbonic anhydrase 2 | 4.2.1.1 | 0.506 | |
| 1i91 | INQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.505 | |
| 5flt | VJJ | Carbonic anhydrase 2 | 4.2.1.1 | 0.505 | |
| 3igp | DT7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.503 | |
| 3t82 | SG4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.503 | |
| 2h15 | B19 | Carbonic anhydrase 2 | 4.2.1.1 | 0.501 | |
| 3dcs | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.501 | |
| 3sbh | E65 | Carbonic anhydrase 2 | 4.2.1.1 | 0.501 | |
| 1i90 | INM | Carbonic anhydrase 2 | 4.2.1.1 | 0.498 | |
| 1if4 | FBS | Carbonic anhydrase 2 | 4.2.1.1 | 0.497 | |
| 1if7 | SBR | Carbonic anhydrase 2 | 4.2.1.1 | 0.495 | |
| 1kwr | SG2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.490 | |
| 2pow | I7C | Carbonic anhydrase 2 | 4.2.1.1 | 0.490 | |
| 1bn4 | AL9 | Carbonic anhydrase 2 | 4.2.1.1 | 0.486 | |
| 3kig | DA4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.485 | |
| 3mna | DWH | Carbonic anhydrase 2 | 4.2.1.1 | 0.485 | |
| 4itp | 1GD | Carbonic anhydrase 2 | 4.2.1.1 | 0.484 | |
| 3po6 | DT9 | Carbonic anhydrase 2 | 4.2.1.1 | 0.482 | |
| 1bnt | AL2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.480 | |
| 1cny | EG3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.480 | |
| 1if5 | FBT | Carbonic anhydrase 2 | 4.2.1.1 | 0.479 | |
| 3dd8 | 2C7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.479 | |
| 3sbi | E90 | Carbonic anhydrase 2 | 4.2.1.1 | 0.479 | |
| 1bn3 | AL6 | Carbonic anhydrase 2 | 4.2.1.1 | 0.476 | |
| 1oq5 | CEL | Carbonic anhydrase 2 | 4.2.1.1 | 0.476 | |
| 3ffp | LC1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.475 | |
| 3t84 | SG6 | Carbonic anhydrase 2 | 4.2.1.1 | 0.474 | |
| 3dd0 | EZL | Carbonic anhydrase 2 | 4.2.1.1 | 0.473 | |
| 4l0q | NAD | Alcohol dehydrogenase class-3 | / | 0.473 | |
| 3eft | 3BS | Carbonic anhydrase 2 | 4.2.1.1 | 0.472 | |
| 3n0n | P9B | Carbonic anhydrase 2 | 4.2.1.1 | 0.470 | |
| 2wej | FB2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.469 | |
| 3s8x | E59 | Carbonic anhydrase 2 | 4.2.1.1 | 0.469 | |
| 2weo | FBW | Carbonic anhydrase 2 | 4.2.1.1 | 0.468 | |
| 3had | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.465 | |
| 1g4j | FFB | Carbonic anhydrase 2 | 4.2.1.1 | 0.464 | |
| 3mho | J43 | Carbonic anhydrase 2 | 4.2.1.1 | 0.464 | |
| 2eu3 | FF3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.463 | |
| 1rx8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 3hku | TOR | Carbonic anhydrase 2 | 4.2.1.1 | 0.462 | |
| 4euf | NAD | Trans-2-enoyl-CoA reductase [NADH] | / | 0.462 | |
| 2w9h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 4bf1 | 9FK | Carbonic anhydrase 2 | 4.2.1.1 | 0.461 | |
| 3mhc | ARZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.460 | |
| 3k2f | NKX | Carbonic anhydrase 2 | 4.2.1.1 | 0.459 | |
| 3oik | WZB | Carbonic anhydrase 2 | 4.2.1.1 | 0.459 | |
| 3oy0 | OY0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.459 | |
| 1cnx | EG2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.458 | |
| 2jbs | FMN | p-hydroxyphenylacetate 3-hydroxylase, oxygenase component | / | 0.458 | |
| 3oyq | OYQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.458 | |
| 1bnw | TPD | Carbonic anhydrase 2 | 4.2.1.1 | 0.455 | |
| 2wd2 | MS5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.455 | |
| 3p5l | IT5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.455 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.455 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.454 | |
| 2jfh | LK1 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.454 | |
| 3b4f | TUO | Carbonic anhydrase 2 | 4.2.1.1 | 0.454 | |
| 3lxe | TOR | Carbonic anhydrase 1 | 4.2.1.1 | 0.454 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.453 | |
| 1i9n | IOA | Carbonic anhydrase 2 | 4.2.1.1 | 0.453 | |
| 2dw4 | FAD | Lysine-specific histone demethylase 1A | 1 | 0.452 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.451 | |
| 3dcw | EZL | Carbonic anhydrase 2 | 4.2.1.1 | 0.451 | |
| 4kni | E1E | Carbonic anhydrase 2 | 4.2.1.1 | 0.451 | |
| 4mo8 | 2VQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.451 | |
| 2pam | TYD | TDP-4-oxo-6-deoxy-alpha-D-glucose-3,4-oxoisomerase | 5.3.2.3 | 0.450 | |
| 4fhk | 0U0 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.450 | |
| 4knj | E1F | Carbonic anhydrase 2 | 4.2.1.1 | 0.450 | |
| 1bnm | AL8 | Carbonic anhydrase 2 | 4.2.1.1 | 0.449 | |
| 1rx1 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 2xvw | 9NR | Serum albumin | / | 0.449 | |
| 4ha6 | PXM | Pyridoxine 4-oxidase | / | 0.449 | |
| 3ni5 | C1H | Carbonic anhydrase 2 | 4.2.1.1 | 0.448 | |
| 3qg2 | CP6 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.448 | |
| 1fm7 | DFV | Chalcone--flavonone isomerase 1 | 5.5.1.6 | 0.447 | |
| 1i9q | IOF | Carbonic anhydrase 2 | 4.2.1.1 | 0.447 | |
| 2j9l | ATP | H(+)/Cl(-) exchange transporter 5 | / | 0.447 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.447 | |
| 4kby | C2E | Stimulator of interferon genes protein | / | 0.447 | |
| 1bnv | AL7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.446 | |
| 1ia1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 1kqw | RTL | Cellular retinol-binding protein type II | / | 0.446 | |
| 2ji9 | TPW | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.446 | |
| 3fhx | PLP | Pyridoxal kinase | 2.7.1.35 | 0.446 | |
| 4iae | 1DX | Alr2278 protein | / | 0.446 | |
| 3m2y | BE0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.445 | |
| 3t85 | SG7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.445 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.444 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.444 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.444 | |
| 1g52 | F2B | Carbonic anhydrase 2 | 4.2.1.1 | 0.443 | |
| 2oci | TYC | Valacyclovir hydrolase | 3.1 | 0.443 | |
| 2v2z | ADP | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.443 | |
| 4j53 | 1J4 | Serine/threonine-protein kinase PLK1 | 2.7.11.21 | 0.443 | |
| 1jd0 | AZM | Carbonic anhydrase 12 | 4.2.1.1 | 0.442 | |
| 1lkd | BP6 | Biphenyl-2,3-diol 1,2-dioxygenase | 1.13.11.39 | 0.442 | |
| 1okl | MNS | Carbonic anhydrase 2 | 4.2.1.1 | 0.442 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.442 | |
| 3mhl | J71 | Carbonic anhydrase 2 | 4.2.1.1 | 0.442 | |
| 1dhi | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2q9f | C3S | Cholesterol 24-hydroxylase | / | 0.441 | |
| 3c14 | FOK | Adenylate cyclase type 2 | / | 0.441 | |
| 3c14 | FOK | Adenylate cyclase type 5 | / | 0.441 | |
| 4dl9 | NAD | S-(hydroxymethyl)glutathione dehydrogenase | / | 0.441 | |
| 4jji | NAD | Alcohol dehydrogenase class-3 | / | 0.441 | |
| 3dcc | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.440 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 4ek1 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.440 | |
| 4hni | 16W | Casein kinase I isoform epsilon | 2.7.11.1 | 0.440 | |
| 4n16 | CHD | Carbonic anhydrase 2 | 4.2.1.1 | 0.440 | |
| 4qzu | RTL | Retinol-binding protein 2 | / | 0.440 |