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 |
---|---|---|---|
1eou | SMS | Carbonic anhydrase 2 | 4.2.1.1 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
1eou | SMS | Carbonic anhydrase 2 | 4.2.1.1 | 1.000 | |
3m2y | BE0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.705 | |
3oik | WZB | Carbonic anhydrase 2 | 4.2.1.1 | 0.624 | |
3m5e | JDR | Carbonic anhydrase 2 | 4.2.1.1 | 0.607 | |
3sbh | E65 | Carbonic anhydrase 2 | 4.2.1.1 | 0.599 | |
3sbi | E90 | Carbonic anhydrase 2 | 4.2.1.1 | 0.599 | |
2eu3 | FF3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.596 | |
3mna | DWH | Carbonic anhydrase 2 | 4.2.1.1 | 0.592 | |
1if6 | FBU | Carbonic anhydrase 2 | 4.2.1.1 | 0.590 | |
3ffp | LC1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.590 | |
1oq5 | CEL | Carbonic anhydrase 2 | 4.2.1.1 | 0.589 | |
4itp | 1GD | Carbonic anhydrase 2 | 4.2.1.1 | 0.587 | |
3mmf | D9H | Carbonic anhydrase 2 | 4.2.1.1 | 0.584 | |
4kni | E1E | Carbonic anhydrase 2 | 4.2.1.1 | 0.582 | |
1kwr | SG2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.580 | |
1ttm | 667 | Carbonic anhydrase 2 | 4.2.1.1 | 0.568 | |
2h15 | B19 | Carbonic anhydrase 2 | 4.2.1.1 | 0.567 | |
4kap | 1QV | Carbonic anhydrase 2 | 4.2.1.1 | 0.567 | |
1if4 | FBS | Carbonic anhydrase 2 | 4.2.1.1 | 0.566 | |
3mzc | S6I | Carbonic anhydrase 2 | 4.2.1.1 | 0.563 | |
1kwq | SG1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.562 | |
1a42 | BZU | Carbonic anhydrase 2 | 4.2.1.1 | 0.557 | |
3eft | 3BS | Carbonic anhydrase 2 | 4.2.1.1 | 0.557 | |
1xpz | 4TZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.556 | |
1g52 | F2B | Carbonic anhydrase 2 | 4.2.1.1 | 0.554 | |
3n0n | P9B | Carbonic anhydrase 2 | 4.2.1.1 | 0.554 | |
3qyk | IE2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.552 | |
3dbu | D8W | Carbonic anhydrase 2 | 4.2.1.1 | 0.551 | |
4knj | E1F | Carbonic anhydrase 2 | 4.2.1.1 | 0.548 | |
2pow | I7C | Carbonic anhydrase 2 | 4.2.1.1 | 0.547 | |
3s9t | E49 | Carbonic anhydrase 2 | 4.2.1.1 | 0.547 | |
4m2v | BZ1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.547 | |
3mhc | ARZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.546 | |
1okn | STB | Carbonic anhydrase 2 | 4.2.1.1 | 0.544 | |
3mho | J43 | Carbonic anhydrase 2 | 4.2.1.1 | 0.542 | |
3s8x | E59 | Carbonic anhydrase 2 | 4.2.1.1 | 0.542 | |
4ilx | 1EZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.542 | |
1if7 | SBR | Carbonic anhydrase 2 | 4.2.1.1 | 0.540 | |
3dc3 | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.540 | |
3igp | DT7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.537 | |
4ito | MPX | Carbonic anhydrase 2 | 4.2.1.1 | 0.537 | |
3v2j | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.535 | |
2weo | FBW | Carbonic anhydrase 2 | 4.2.1.1 | 0.529 | |
3b4f | TUO | Carbonic anhydrase 2 | 4.2.1.1 | 0.529 | |
3k2f | NKX | Carbonic anhydrase 2 | 4.2.1.1 | 0.528 | |
3oy0 | OY0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.527 | |
2weh | FB1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.526 | |
1bn4 | AL9 | Carbonic anhydrase 2 | 4.2.1.1 | 0.525 | |
3nb5 | R21 | Carbonic anhydrase 2 | 4.2.1.1 | 0.525 | |
1g45 | FSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.523 | |
1g4j | FFB | Carbonic anhydrase 2 | 4.2.1.1 | 0.523 | |
1okl | MNS | Carbonic anhydrase 2 | 4.2.1.1 | 0.523 | |
3dd8 | 2C7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.523 | |
1cnw | EG1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
3daz | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
3d8w | D8W | Carbonic anhydrase 2 | 4.2.1.1 | 0.520 | |
3oyq | OYQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.520 | |
3t85 | SG7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.518 | |
4k0t | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.517 | |
3dd0 | EZL | Carbonic anhydrase 2 | 4.2.1.1 | 0.515 | |
3dcc | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.514 | |
1bn1 | AL5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.511 | |
1g54 | FFB | Carbonic anhydrase 2 | 4.2.1.1 | 0.509 | |
3p5l | IT5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.509 | |
1bnt | AL2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.508 | |
1zsb | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.508 | |
3hku | TOR | Carbonic anhydrase 2 | 4.2.1.1 | 0.508 | |
3dcs | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.506 | |
4mo8 | 2VQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.506 | |
1yda | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.505 | |
1bnn | AL1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.504 | |
1cny | EG3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.503 | |
4bf1 | 9FK | Carbonic anhydrase 2 | 4.2.1.1 | 0.502 | |
3myq | E27 | Carbonic anhydrase 2 | 4.2.1.1 | 0.501 | |
1bnv | AL7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.500 | |
3dcw | EZL | Carbonic anhydrase 2 | 4.2.1.1 | 0.500 | |
1i91 | INQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.499 | |
2wd2 | MS5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.499 | |
1g4o | BSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.498 | |
3t84 | SG6 | Carbonic anhydrase 2 | 4.2.1.1 | 0.497 | |
1bnw | TPD | Carbonic anhydrase 2 | 4.2.1.1 | 0.496 | |
3bl1 | BL1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.495 | |
1i8z | INL | Carbonic anhydrase 2 | 4.2.1.1 | 0.494 | |
3mhi | J90 | Carbonic anhydrase 2 | 4.2.1.1 | 0.494 | |
3mdz | EZL | Carbonic anhydrase 7 | 4.2.1.1 | 0.493 | |
3po6 | DT9 | Carbonic anhydrase 2 | 4.2.1.1 | 0.491 | |
3t82 | SG4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.490 | |
4pxx | CHD | Carbonic anhydrase 2 | 4.2.1.1 | 0.489 | |
5fl4 | 9FK | Carbonic anhydrase 9 | 4.2.1.1 | 0.488 | |
4k0z | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.487 | |
4n16 | CHD | Carbonic anhydrase 2 | 4.2.1.1 | 0.487 | |
2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.485 | |
3rz8 | RZ8 | Carbonic anhydrase 2 | 4.2.1.1 | 0.485 | |
1bnu | AL3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.482 | |
2x7u | WZA | Carbonic anhydrase 2 | 4.2.1.1 | 0.482 | |
2wej | FB2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.481 | |
3l14 | I7B | Carbonic anhydrase 2 | 4.2.1.1 | 0.481 | |
4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.480 | |
1i9m | INW | Carbonic anhydrase 2 | 4.2.1.1 | 0.479 | |
3ni5 | C1H | Carbonic anhydrase 2 | 4.2.1.1 | 0.475 | |
3n2p | AYX | Carbonic anhydrase 2 | 4.2.1.1 | 0.474 | |
1i9n | IOA | Carbonic anhydrase 2 | 4.2.1.1 | 0.470 | |
3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.470 | |
3fw3 | ETS | Carbonic anhydrase 4 | 4.2.1.1 | 0.469 | |
4kp5 | E1F | Carbonic anhydrase 12 | 4.2.1.1 | 0.466 | |
1okm | SAB | Carbonic anhydrase 2 | 4.2.1.1 | 0.465 | |
1i9q | IOF | Carbonic anhydrase 2 | 4.2.1.1 | 0.462 | |
1gpd | NAD | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.12 | 0.461 | |
3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.460 | |
2h4n | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.459 | |
4x5s | AZM | Carbonic anhydrase (Carbonate dehydratase) | / | 0.459 | |
4g2j | 0WF | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.458 | |
4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.458 | |
2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.457 | |
3jsi | WTC | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.457 | |
3mhl | J71 | Carbonic anhydrase 2 | 4.2.1.1 | 0.457 | |
1rne | C60 | Renin | 3.4.23.15 | 0.456 | |
4mrm | 2BY | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.455 | |
3m2v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.453 | |
1ivs | VAA | Valine--tRNA ligase | 6.1.1.9 | 0.452 | |
3d9z | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.451 | |
3dyq | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
3f7b | AG5 | Carbonic anhydrase 4 | 4.2.1.1 | 0.450 | |
1kyx | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.449 | |
2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.449 | |
1jd0 | AZM | Carbonic anhydrase 12 | 4.2.1.1 | 0.448 | |
1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.448 | |
2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.448 | |
2g1n | 1IG | Renin | 3.4.23.15 | 0.448 | |
3h3s | H15 | Collagen type IV alpha-3-binding protein | / | 0.448 | |
3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.447 | |
3tqx | PLP | 2-amino-3-ketobutyrate coenzyme A ligase | / | 0.447 | |
1w34 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.446 | |
4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.446 | |
2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.444 | |
2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.444 | |
4f0r | MTA | 5-methylthioadenosine/S-adenosylhomocysteine deaminase | / | 0.444 | |
4lnb | ED5 | CaaX farnesyltransferase beta subunit Ram1 | / | 0.444 | |
1cnf | FAD | Nitrate reductase [NADH] | 1.7.1.1 | 0.443 | |
3bt9 | DEQ | HTH-type transcriptional regulator QacR | / | 0.443 | |
3iex | GMP | Purine nucleoside phosphorylase | / | 0.443 | |
3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.443 | |
4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.443 | |
2q1q | OSP | Carbonic anhydrase 2 | 4.2.1.1 | 0.442 | |
2vyq | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.442 | |
1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.440 | |
3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.440 | |
4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.440 |