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 |
|---|---|---|---|
| 3dcs | MZM | Carbonic anhydrase 2 | 4.2.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3dcs | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 1.000 | |
| 3dc3 | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.763 | |
| 4kap | 1QV | Carbonic anhydrase 2 | 4.2.1.1 | 0.701 | |
| 4m2r | BZ1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.683 | |
| 1if5 | FBT | Carbonic anhydrase 2 | 4.2.1.1 | 0.682 | |
| 3hku | TOR | Carbonic anhydrase 2 | 4.2.1.1 | 0.681 | |
| 1if6 | FBU | Carbonic anhydrase 2 | 4.2.1.1 | 0.670 | |
| 3qyk | IE2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.665 | |
| 2x7t | WZB | Carbonic anhydrase 2 | 4.2.1.1 | 0.647 | |
| 1if7 | SBR | Carbonic anhydrase 2 | 4.2.1.1 | 0.636 | |
| 3m5e | JDR | Carbonic anhydrase 2 | 4.2.1.1 | 0.636 | |
| 1bn3 | AL6 | Carbonic anhydrase 2 | 4.2.1.1 | 0.628 | |
| 4m2v | BZ1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.627 | |
| 1i91 | INQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.626 | |
| 1bnn | AL1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.624 | |
| 2h15 | B19 | Carbonic anhydrase 2 | 4.2.1.1 | 0.624 | |
| 1bn1 | AL5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.621 | |
| 1g52 | F2B | Carbonic anhydrase 2 | 4.2.1.1 | 0.621 | |
| 1i9q | IOF | Carbonic anhydrase 2 | 4.2.1.1 | 0.621 | |
| 3d9z | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.618 | |
| 1g45 | FSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.617 | |
| 3t82 | SG4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.617 | |
| 1kwr | SG2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.616 | |
| 3daz | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.615 | |
| 1bn4 | AL9 | Carbonic anhydrase 2 | 4.2.1.1 | 0.613 | |
| 1a42 | BZU | Carbonic anhydrase 2 | 4.2.1.1 | 0.612 | |
| 4kni | E1E | Carbonic anhydrase 2 | 4.2.1.1 | 0.612 | |
| 3eft | 3BS | Carbonic anhydrase 2 | 4.2.1.1 | 0.609 | |
| 1cil | ETS | Carbonic anhydrase 2 | 4.2.1.1 | 0.607 | |
| 1ttm | 667 | Carbonic anhydrase 2 | 4.2.1.1 | 0.606 | |
| 3k2f | NKX | Carbonic anhydrase 2 | 4.2.1.1 | 0.605 | |
| 2eu3 | FF3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.604 | |
| 3sbi | E90 | Carbonic anhydrase 2 | 4.2.1.1 | 0.604 | |
| 3dbu | D8W | Carbonic anhydrase 2 | 4.2.1.1 | 0.597 | |
| 3mhl | J71 | Carbonic anhydrase 2 | 4.2.1.1 | 0.596 | |
| 1g1d | FSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.595 | |
| 1if4 | FBS | Carbonic anhydrase 2 | 4.2.1.1 | 0.594 | |
| 1bnw | TPD | Carbonic anhydrase 2 | 4.2.1.1 | 0.592 | |
| 1zsb | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.591 | |
| 3ffp | LC1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.589 | |
| 1kwq | SG1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.586 | |
| 3n0n | P9B | Carbonic anhydrase 2 | 4.2.1.1 | 0.586 | |
| 3po6 | DT9 | Carbonic anhydrase 2 | 4.2.1.1 | 0.585 | |
| 4bf6 | X0Q | Carbonic anhydrase 2 | 4.2.1.1 | 0.584 | |
| 2weo | FBW | Carbonic anhydrase 2 | 4.2.1.1 | 0.583 | |
| 3t84 | SG6 | Carbonic anhydrase 2 | 4.2.1.1 | 0.583 | |
| 1xpz | 4TZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.578 | |
| 3kig | DA4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.576 | |
| 1bnt | AL2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.574 | |
| 3nb5 | R21 | Carbonic anhydrase 2 | 4.2.1.1 | 0.573 | |
| 5flt | VJJ | Carbonic anhydrase 2 | 4.2.1.1 | 0.572 | |
| 1bnq | AL4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.570 | |
| 1i9m | INW | Carbonic anhydrase 2 | 4.2.1.1 | 0.569 | |
| 1g54 | FFB | Carbonic anhydrase 2 | 4.2.1.1 | 0.566 | |
| 1if8 | SBS | Carbonic anhydrase 2 | 4.2.1.1 | 0.566 | |
| 3f4x | KLT | Carbonic anhydrase 2 | 4.2.1.1 | 0.566 | |
| 4itp | 1GD | Carbonic anhydrase 2 | 4.2.1.1 | 0.566 | |
| 3mdz | EZL | Carbonic anhydrase 7 | 4.2.1.1 | 0.564 | |
| 1g4j | FFB | Carbonic anhydrase 2 | 4.2.1.1 | 0.563 | |
| 3m2n | J74 | Carbonic anhydrase 2 | 4.2.1.1 | 0.562 | |
| 4ilx | 1EZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.561 | |
| 3ni5 | C1H | Carbonic anhydrase 2 | 4.2.1.1 | 0.557 | |
| 4iwz | 1GO | Carbonic anhydrase 2 | 4.2.1.1 | 0.557 | |
| 2h4n | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.556 | |
| 3n4b | WWZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.556 | |
| 3oys | OYS | Carbonic anhydrase 2 | 4.2.1.1 | 0.556 | |
| 3b4f | TUO | Carbonic anhydrase 2 | 4.2.1.1 | 0.555 | |
| 3mna | DWH | Carbonic anhydrase 2 | 4.2.1.1 | 0.555 | |
| 3t85 | SG7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.555 | |
| 2wej | FB2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.553 | |
| 2weh | FB1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.552 | |
| 4ito | MPX | Carbonic anhydrase 2 | 4.2.1.1 | 0.552 | |
| 1g4o | BSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.551 | |
| 2x7u | WZA | Carbonic anhydrase 2 | 4.2.1.1 | 0.549 | |
| 3m2y | BE0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.549 | |
| 3mzc | S6I | Carbonic anhydrase 2 | 4.2.1.1 | 0.549 | |
| 1xq0 | 4TR | Carbonic anhydrase 2 | 4.2.1.1 | 0.548 | |
| 3m98 | E02 | Carbonic anhydrase 2 | 4.2.1.1 | 0.548 | |
| 1cnw | EG1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.547 | |
| 3m67 | E36 | Carbonic anhydrase 2 | 4.2.1.1 | 0.545 | |
| 3dd8 | 2C7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.544 | |
| 4n16 | CHD | Carbonic anhydrase 2 | 4.2.1.1 | 0.544 | |
| 1i90 | INM | Carbonic anhydrase 2 | 4.2.1.1 | 0.543 | |
| 4k0t | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.543 | |
| 4k13 | ETS | Carbonic anhydrase 2 | 4.2.1.1 | 0.543 | |
| 3znc | BZ1 | Carbonic anhydrase 4 | 4.2.1.1 | 0.541 | |
| 4kp8 | E1G | Carbonic anhydrase 12 | 4.2.1.1 | 0.539 | |
| 1oq5 | CEL | Carbonic anhydrase 2 | 4.2.1.1 | 0.538 | |
| 3bet | CTF | Carbonic anhydrase 2 | 4.2.1.1 | 0.538 | |
| 3dcc | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.537 | |
| 1i9n | IOA | Carbonic anhydrase 2 | 4.2.1.1 | 0.536 | |
| 3oik | WZB | Carbonic anhydrase 2 | 4.2.1.1 | 0.536 | |
| 1jd0 | AZM | Carbonic anhydrase 12 | 4.2.1.1 | 0.535 | |
| 3f7u | AG4 | Carbonic anhydrase 4 | 4.2.1.1 | 0.534 | |
| 3s9t | E49 | Carbonic anhydrase 2 | 4.2.1.1 | 0.533 | |
| 3d8w | D8W | Carbonic anhydrase 2 | 4.2.1.1 | 0.532 | |
| 3mho | J43 | Carbonic anhydrase 2 | 4.2.1.1 | 0.531 | |
| 3igp | DT7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.530 | |
| 3sbh | E65 | Carbonic anhydrase 2 | 4.2.1.1 | 0.530 | |
| 3ml2 | SU0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.528 | |
| 3sax | E50 | Carbonic anhydrase 2 | 4.2.1.1 | 0.528 | |
| 1bnu | AL3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.527 | |
| 2pow | I7C | Carbonic anhydrase 2 | 4.2.1.1 | 0.527 | |
| 3f7b | AG5 | Carbonic anhydrase 4 | 4.2.1.1 | 0.527 | |
| 1bnm | AL8 | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 3mhc | ARZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 4kp5 | E1F | Carbonic anhydrase 12 | 4.2.1.1 | 0.522 | |
| 1okl | MNS | Carbonic anhydrase 2 | 4.2.1.1 | 0.521 | |
| 1yda | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.521 | |
| 2wd2 | MS5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.521 | |
| 3s8x | E59 | Carbonic anhydrase 2 | 4.2.1.1 | 0.519 | |
| 4pxx | CHD | Carbonic anhydrase 2 | 4.2.1.1 | 0.519 | |
| 3p5l | IT5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.518 | |
| 4ht2 | V50 | Carbonic anhydrase 12 | 4.2.1.1 | 0.517 | |
| 3n3j | WWV | Carbonic anhydrase 2 | 4.2.1.1 | 0.513 | |
| 1i8z | INL | Carbonic anhydrase 2 | 4.2.1.1 | 0.512 | |
| 1i9p | IOE | Carbonic anhydrase 2 | 4.2.1.1 | 0.512 | |
| 3n2p | AYX | Carbonic anhydrase 2 | 4.2.1.1 | 0.512 | |
| 3oim | VZ5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.512 | |
| 4x5s | AZM | Carbonic anhydrase (Carbonate dehydratase) | / | 0.512 | |
| 3fw3 | ETS | Carbonic anhydrase 4 | 4.2.1.1 | 0.511 | |
| 1bnv | AL7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.509 | |
| 3dcw | EZL | Carbonic anhydrase 2 | 4.2.1.1 | 0.509 | |
| 4bf1 | 9FK | Carbonic anhydrase 2 | 4.2.1.1 | 0.505 | |
| 2weg | FBV | Carbonic anhydrase 2 | 4.2.1.1 | 0.504 | |
| 4knj | E1F | Carbonic anhydrase 2 | 4.2.1.1 | 0.502 | |
| 3m96 | E38 | Carbonic anhydrase 2 | 4.2.1.1 | 0.501 | |
| 1cnx | EG2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.500 | |
| 3bl1 | BL1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.500 | |
| 3l14 | I7B | Carbonic anhydrase 2 | 4.2.1.1 | 0.500 | |
| 3v2j | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.500 | |
| 3mmf | D9H | Carbonic anhydrase 2 | 4.2.1.1 | 0.496 | |
| 3dd0 | EZL | Carbonic anhydrase 2 | 4.2.1.1 | 0.494 | |
| 4uov | AZM | Carbonate dehydratase | / | 0.493 | |
| 3m40 | J45 | Carbonic anhydrase 2 | 4.2.1.1 | 0.492 | |
| 4mo8 | 2VQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.490 | |
| 3lxe | TOR | Carbonic anhydrase 1 | 4.2.1.1 | 0.488 | |
| 3mhi | J90 | Carbonic anhydrase 2 | 4.2.1.1 | 0.487 | |
| 1cny | EG3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.481 | |
| 3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.479 | |
| 1eou | SMS | Carbonic anhydrase 2 | 4.2.1.1 | 0.477 | |
| 1okm | SAB | Carbonic anhydrase 2 | 4.2.1.1 | 0.473 | |
| 1okn | STB | Carbonic anhydrase 2 | 4.2.1.1 | 0.472 | |
| 4iae | 1DX | Alr2278 protein | / | 0.470 | |
| 4lu3 | AZM | Carbonic anhydrase 14 | 4.2.1.1 | 0.470 | |
| 3oy0 | OY0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.466 | |
| 4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.463 | |
| 3oyq | OYQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.459 | |
| 1rj6 | AZM | Carbonic anhydrase 14 | 4.2.1.1 | 0.456 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.455 | |
| 3fr5 | I4A | Fatty acid-binding protein, adipocyte | / | 0.455 | |
| 4k0z | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.454 | |
| 4knm | E1E | Carbonic anhydrase 13 | 4.2.1.1 | 0.454 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.453 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.452 | |
| 3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.452 | |
| 3myq | E27 | Carbonic anhydrase 2 | 4.2.1.1 | 0.451 | |
| 4a80 | 2AN | Major pollen allergen Bet v 1-A | / | 0.451 | |
| 4jic | FMN | GTN Reductase | / | 0.451 | |
| 7std | CRP | Scytalone dehydratase | 4.2.1.94 | 0.451 | |
| 4dz7 | D02 | Carbonic anhydrase 2 | 4.2.1.1 | 0.450 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.449 | |
| 4iah | 1DX | Alr2278 protein | / | 0.449 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.448 | |
| 3zbs | OVE | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.448 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 4kby | C2E | Stimulator of interferon genes protein | / | 0.447 | |
| 4xsv | C5P | Ethanolamine-phosphate cytidylyltransferase | 2.7.7.14 | 0.447 | |
| 1h63 | FMN | Pentaerythritol tetranitrate reductase | / | 0.444 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.443 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 4g2j | 0WF | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.442 | |
| 3otb | DGT | Probable tRNA(His) guanylyltransferase | 2.7.7.79 | 0.442 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.441 | |
| 1tow | CRZ | Fatty acid-binding protein, adipocyte | / | 0.440 | |
| 4gdc | NDP | UDP-galactopyranose mutase | / | 0.440 |