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 |
|---|---|---|---|
| 4knm | E1E | Carbonic anhydrase 13 | 4.2.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4knm | E1E | Carbonic anhydrase 13 | 4.2.1.1 | 1.000 | |
| 3b4f | TUO | Carbonic anhydrase 2 | 4.2.1.1 | 0.587 | |
| 3k2f | NKX | Carbonic anhydrase 2 | 4.2.1.1 | 0.584 | |
| 1i90 | INM | Carbonic anhydrase 2 | 4.2.1.1 | 0.579 | |
| 1bnn | AL1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.578 | |
| 3ffp | LC1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.576 | |
| 4pxx | CHD | Carbonic anhydrase 2 | 4.2.1.1 | 0.576 | |
| 3daz | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.570 | |
| 1if6 | FBU | Carbonic anhydrase 2 | 4.2.1.1 | 0.569 | |
| 1a42 | BZU | Carbonic anhydrase 2 | 4.2.1.1 | 0.568 | |
| 1i91 | INQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.567 | |
| 4hu1 | V13 | Carbonic anhydrase 13 | 4.2.1.1 | 0.562 | |
| 1ttm | 667 | Carbonic anhydrase 2 | 4.2.1.1 | 0.560 | |
| 2eu3 | FF3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.560 | |
| 1bnw | TPD | Carbonic anhydrase 2 | 4.2.1.1 | 0.558 | |
| 2h15 | B19 | Carbonic anhydrase 2 | 4.2.1.1 | 0.557 | |
| 1bn1 | AL5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.556 | |
| 1if4 | FBS | Carbonic anhydrase 2 | 4.2.1.1 | 0.555 | |
| 3m67 | E36 | Carbonic anhydrase 2 | 4.2.1.1 | 0.552 | |
| 4n16 | CHD | Carbonic anhydrase 2 | 4.2.1.1 | 0.551 | |
| 1g52 | F2B | Carbonic anhydrase 2 | 4.2.1.1 | 0.549 | |
| 3hku | TOR | Carbonic anhydrase 2 | 4.2.1.1 | 0.549 | |
| 1xpz | 4TZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.542 | |
| 4knn | E1F | Carbonic anhydrase 13 | 4.2.1.1 | 0.542 | |
| 1bn4 | AL9 | Carbonic anhydrase 2 | 4.2.1.1 | 0.541 | |
| 1bnt | AL2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.539 | |
| 1bnv | AL7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.539 | |
| 2weh | FB1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.539 | |
| 1xq0 | 4TR | Carbonic anhydrase 2 | 4.2.1.1 | 0.537 | |
| 3dd8 | 2C7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.537 | |
| 3s9t | E49 | Carbonic anhydrase 2 | 4.2.1.1 | 0.537 | |
| 1bn3 | AL6 | Carbonic anhydrase 2 | 4.2.1.1 | 0.535 | |
| 3d9z | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.535 | |
| 3eft | 3BS | Carbonic anhydrase 2 | 4.2.1.1 | 0.534 | |
| 3s8x | E59 | Carbonic anhydrase 2 | 4.2.1.1 | 0.534 | |
| 3sbh | E65 | Carbonic anhydrase 2 | 4.2.1.1 | 0.533 | |
| 3bet | CTF | Carbonic anhydrase 2 | 4.2.1.1 | 0.530 | |
| 3m2n | J74 | Carbonic anhydrase 2 | 4.2.1.1 | 0.530 | |
| 3nb5 | R21 | Carbonic anhydrase 2 | 4.2.1.1 | 0.530 | |
| 3mzc | S6I | Carbonic anhydrase 2 | 4.2.1.1 | 0.528 | |
| 3po6 | DT9 | Carbonic anhydrase 2 | 4.2.1.1 | 0.528 | |
| 3sbi | E90 | Carbonic anhydrase 2 | 4.2.1.1 | 0.528 | |
| 3bl1 | BL1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.527 | |
| 1i9n | IOA | Carbonic anhydrase 2 | 4.2.1.1 | 0.526 | |
| 1zsb | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.526 | |
| 1bnm | AL8 | Carbonic anhydrase 2 | 4.2.1.1 | 0.525 | |
| 3znc | BZ1 | Carbonic anhydrase 4 | 4.2.1.1 | 0.525 | |
| 3oys | OYS | Carbonic anhydrase 2 | 4.2.1.1 | 0.523 | |
| 1i8z | INL | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 3dc3 | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 1bnq | AL4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.521 | |
| 4itp | 1GD | Carbonic anhydrase 2 | 4.2.1.1 | 0.521 | |
| 1g1d | FSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.520 | |
| 4ito | MPX | Carbonic anhydrase 2 | 4.2.1.1 | 0.519 | |
| 3t82 | SG4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.518 | |
| 4kni | E1E | Carbonic anhydrase 2 | 4.2.1.1 | 0.518 | |
| 2wd2 | MS5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.516 | |
| 2weo | FBW | Carbonic anhydrase 2 | 4.2.1.1 | 0.516 | |
| 4ilx | 1EZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.516 | |
| 3dcs | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.515 | |
| 3m2y | BE0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.515 | |
| 3m96 | E38 | Carbonic anhydrase 2 | 4.2.1.1 | 0.515 | |
| 1okl | MNS | Carbonic anhydrase 2 | 4.2.1.1 | 0.514 | |
| 1oq5 | CEL | Carbonic anhydrase 2 | 4.2.1.1 | 0.514 | |
| 1if5 | FBT | Carbonic anhydrase 2 | 4.2.1.1 | 0.513 | |
| 3qyk | IE2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.513 | |
| 2x7t | WZB | Carbonic anhydrase 2 | 4.2.1.1 | 0.511 | |
| 3m5e | JDR | Carbonic anhydrase 2 | 4.2.1.1 | 0.511 | |
| 1cil | ETS | Carbonic anhydrase 2 | 4.2.1.1 | 0.510 | |
| 3m98 | E02 | Carbonic anhydrase 2 | 4.2.1.1 | 0.510 | |
| 3mhl | J71 | Carbonic anhydrase 2 | 4.2.1.1 | 0.510 | |
| 1g4o | BSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.508 | |
| 3sax | E50 | Carbonic anhydrase 2 | 4.2.1.1 | 0.507 | |
| 3ml2 | SU0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.506 | |
| 4kp5 | E1F | Carbonic anhydrase 12 | 4.2.1.1 | 0.506 | |
| 3kig | DA4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.505 | |
| 4lu3 | AZM | Carbonic anhydrase 14 | 4.2.1.1 | 0.505 | |
| 1kwr | SG2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.502 | |
| 3igp | DT7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.502 | |
| 3n2p | AYX | Carbonic anhydrase 2 | 4.2.1.1 | 0.502 | |
| 4kp8 | E1G | Carbonic anhydrase 12 | 4.2.1.1 | 0.502 | |
| 1g4j | FFB | Carbonic anhydrase 2 | 4.2.1.1 | 0.500 | |
| 1g54 | FFB | Carbonic anhydrase 2 | 4.2.1.1 | 0.499 | |
| 2x7u | WZA | Carbonic anhydrase 2 | 4.2.1.1 | 0.499 | |
| 3mdz | EZL | Carbonic anhydrase 7 | 4.2.1.1 | 0.499 | |
| 4kap | 1QV | Carbonic anhydrase 2 | 4.2.1.1 | 0.499 | |
| 1i9m | INW | Carbonic anhydrase 2 | 4.2.1.1 | 0.498 | |
| 1kwq | SG1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.498 | |
| 3f4x | KLT | Carbonic anhydrase 2 | 4.2.1.1 | 0.498 | |
| 4m2r | BZ1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.498 | |
| 4bf6 | X0Q | Carbonic anhydrase 2 | 4.2.1.1 | 0.497 | |
| 5flt | VJJ | Carbonic anhydrase 2 | 4.2.1.1 | 0.497 | |
| 3m40 | J45 | Carbonic anhydrase 2 | 4.2.1.1 | 0.496 | |
| 3mho | J43 | Carbonic anhydrase 2 | 4.2.1.1 | 0.495 | |
| 4knj | E1F | Carbonic anhydrase 2 | 4.2.1.1 | 0.495 | |
| 3lxe | TOR | Carbonic anhydrase 1 | 4.2.1.1 | 0.493 | |
| 1g45 | FSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.492 | |
| 3t85 | SG7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.490 | |
| 1jd0 | AZM | Carbonic anhydrase 12 | 4.2.1.1 | 0.488 | |
| 3mna | DWH | Carbonic anhydrase 2 | 4.2.1.1 | 0.488 | |
| 3t84 | SG6 | Carbonic anhydrase 2 | 4.2.1.1 | 0.487 | |
| 4iwz | 1GO | Carbonic anhydrase 2 | 4.2.1.1 | 0.484 | |
| 3oim | VZ5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.481 | |
| 1if8 | SBS | Carbonic anhydrase 2 | 4.2.1.1 | 0.479 | |
| 3n0n | P9B | Carbonic anhydrase 2 | 4.2.1.1 | 0.479 | |
| 3n4b | WWZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.478 | |
| 4m2v | BZ1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.477 | |
| 1i9p | IOE | Carbonic anhydrase 2 | 4.2.1.1 | 0.476 | |
| 3mmf | D9H | Carbonic anhydrase 2 | 4.2.1.1 | 0.476 | |
| 1cnw | EG1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.474 | |
| 1i9q | IOF | Carbonic anhydrase 2 | 4.2.1.1 | 0.474 | |
| 2wej | FB2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.474 | |
| 3exh | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.474 | |
| 3exh | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.474 | |
| 3ni5 | C1H | Carbonic anhydrase 2 | 4.2.1.1 | 0.472 | |
| 3oik | WZB | Carbonic anhydrase 2 | 4.2.1.1 | 0.472 | |
| 1if7 | SBR | Carbonic anhydrase 2 | 4.2.1.1 | 0.471 | |
| 4ht2 | V50 | Carbonic anhydrase 12 | 4.2.1.1 | 0.467 | |
| 2bxq | IMN | Serum albumin | / | 0.465 | |
| 1bnu | AL3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.464 | |
| 1zdw | FLV | Prenyltransferase | / | 0.462 | |
| 2pow | I7C | Carbonic anhydrase 2 | 4.2.1.1 | 0.460 | |
| 1okm | SAB | Carbonic anhydrase 2 | 4.2.1.1 | 0.459 | |
| 3v2j | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.458 | |
| 3oy0 | OY0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.457 | |
| 1okn | STB | Carbonic anhydrase 2 | 4.2.1.1 | 0.456 | |
| 3d8w | D8W | Carbonic anhydrase 2 | 4.2.1.1 | 0.456 | |
| 3fw3 | ETS | Carbonic anhydrase 4 | 4.2.1.1 | 0.456 | |
| 1kqw | RTL | Cellular retinol-binding protein type II | / | 0.455 | |
| 2weg | FBV | Carbonic anhydrase 2 | 4.2.1.1 | 0.455 | |
| 3f7b | AG5 | Carbonic anhydrase 4 | 4.2.1.1 | 0.455 | |
| 3f7u | AG4 | Carbonic anhydrase 4 | 4.2.1.1 | 0.455 | |
| 4guk | P2G | Neuronal calcium sensor 1 | / | 0.454 | |
| 3n3j | WWV | Carbonic anhydrase 2 | 4.2.1.1 | 0.453 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.453 | |
| 4k13 | ETS | Carbonic anhydrase 2 | 4.2.1.1 | 0.453 | |
| 4a86 | 2AN | Major pollen allergen Bet v 1-A | / | 0.452 | |
| 3fr5 | I4A | Fatty acid-binding protein, adipocyte | / | 0.451 | |
| 4qzu | RTL | Retinol-binding protein 2 | / | 0.451 | |
| 3mhi | J90 | Carbonic anhydrase 2 | 4.2.1.1 | 0.449 | |
| 3myq | E27 | Carbonic anhydrase 2 | 4.2.1.1 | 0.449 | |
| 4mo8 | 2VQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.449 | |
| 1tow | CRZ | Fatty acid-binding protein, adipocyte | / | 0.448 | |
| 4uov | AZM | Carbonate dehydratase | / | 0.448 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.447 | |
| 2ea4 | F79 | Methionine aminopeptidase 2 | / | 0.446 | |
| 3oyq | OYQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.446 | |
| 4h6p | FMN | Chromate reductase | / | 0.446 | |
| 1cqp | 803 | Integrin alpha-L | / | 0.443 | |
| 1t7o | 152 | Carnitine O-acetyltransferase | 2.3.1.7 | 0.443 | |
| 1tka | N3T | Transketolase 1 | 2.2.1.1 | 0.443 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.443 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.442 | |
| 2yoz | OVE | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.442 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 4iah | 1DX | Alr2278 protein | / | 0.442 | |
| 4x7u | ZM3 | Mycinamicin III 3''-O-methyltransferase | 2.1.1.237 | 0.442 | |
| 1eou | SMS | Carbonic anhydrase 2 | 4.2.1.1 | 0.441 | |
| 2q1q | OSP | Carbonic anhydrase 2 | 4.2.1.1 | 0.441 | |
| 3jun | AKD | Phenazine biosynthesis protein A/B | / | 0.441 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.441 | |
| 4a86 | H35 | Major pollen allergen Bet v 1-A | / | 0.441 | |
| 1yw9 | A84 | Methionine aminopeptidase 2 | / | 0.440 | |
| 3dd0 | EZL | Carbonic anhydrase 2 | 4.2.1.1 | 0.440 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.440 |