sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1xpz | 4TZ | Carbonic anhydrase 2 | 4.2.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1xpz | 4TZ | Carbonic anhydrase 2 | 4.2.1.1 | 1.000 | |
| 1ttm | 667 | Carbonic anhydrase 2 | 4.2.1.1 | 0.681 | |
| 2h15 | B19 | Carbonic anhydrase 2 | 4.2.1.1 | 0.621 | |
| 1bnn | AL1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.620 | |
| 1a42 | BZU | Carbonic anhydrase 2 | 4.2.1.1 | 0.613 | |
| 1if6 | FBU | Carbonic anhydrase 2 | 4.2.1.1 | 0.600 | |
| 3k2f | NKX | Carbonic anhydrase 2 | 4.2.1.1 | 0.598 | |
| 4kni | E1E | Carbonic anhydrase 2 | 4.2.1.1 | 0.597 | |
| 1bn1 | AL5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.595 | |
| 1bn3 | AL6 | Carbonic anhydrase 2 | 4.2.1.1 | 0.591 | |
| 3b4f | TUO | Carbonic anhydrase 2 | 4.2.1.1 | 0.591 | |
| 1bn4 | AL9 | Carbonic anhydrase 2 | 4.2.1.1 | 0.583 | |
| 4pxx | CHD | Carbonic anhydrase 2 | 4.2.1.1 | 0.583 | |
| 1i91 | INQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.581 | |
| 3hku | TOR | Carbonic anhydrase 2 | 4.2.1.1 | 0.581 | |
| 3daz | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.579 | |
| 3d8w | D8W | Carbonic anhydrase 2 | 4.2.1.1 | 0.577 | |
| 1i8z | INL | Carbonic anhydrase 2 | 4.2.1.1 | 0.576 | |
| 1xq0 | 4TR | Carbonic anhydrase 2 | 4.2.1.1 | 0.576 | |
| 3eft | 3BS | Carbonic anhydrase 2 | 4.2.1.1 | 0.575 | |
| 4n16 | CHD | Carbonic anhydrase 2 | 4.2.1.1 | 0.574 | |
| 2wd2 | MS5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.572 | |
| 3dcs | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.572 | |
| 1i90 | INM | Carbonic anhydrase 2 | 4.2.1.1 | 0.571 | |
| 3dc3 | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.570 | |
| 3d9z | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.569 | |
| 3sbh | E65 | Carbonic anhydrase 2 | 4.2.1.1 | 0.569 | |
| 1zsb | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.568 | |
| 3po6 | DT9 | Carbonic anhydrase 2 | 4.2.1.1 | 0.568 | |
| 3ffp | LC1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.565 | |
| 1kwr | SG2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.564 | |
| 3v2j | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.564 | |
| 3nb5 | R21 | Carbonic anhydrase 2 | 4.2.1.1 | 0.561 | |
| 3mhl | J71 | Carbonic anhydrase 2 | 4.2.1.1 | 0.560 | |
| 3ni5 | C1H | Carbonic anhydrase 2 | 4.2.1.1 | 0.560 | |
| 1bnw | TPD | Carbonic anhydrase 2 | 4.2.1.1 | 0.559 | |
| 1cnw | EG1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.558 | |
| 1g52 | F2B | Carbonic anhydrase 2 | 4.2.1.1 | 0.558 | |
| 2eu3 | FF3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.558 | |
| 1bnq | AL4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.556 | |
| 3qyk | IE2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.555 | |
| 3sax | E50 | Carbonic anhydrase 2 | 4.2.1.1 | 0.555 | |
| 3t82 | SG4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.554 | |
| 1g1d | FSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.552 | |
| 1if4 | FBS | Carbonic anhydrase 2 | 4.2.1.1 | 0.552 | |
| 3m5e | JDR | Carbonic anhydrase 2 | 4.2.1.1 | 0.552 | |
| 1bnu | AL3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.551 | |
| 1if5 | FBT | Carbonic anhydrase 2 | 4.2.1.1 | 0.551 | |
| 1if7 | SBR | Carbonic anhydrase 2 | 4.2.1.1 | 0.551 | |
| 2weo | FBW | Carbonic anhydrase 2 | 4.2.1.1 | 0.551 | |
| 2x7t | WZB | Carbonic anhydrase 2 | 4.2.1.1 | 0.549 | |
| 4kap | 1QV | Carbonic anhydrase 2 | 4.2.1.1 | 0.549 | |
| 1okl | MNS | Carbonic anhydrase 2 | 4.2.1.1 | 0.545 | |
| 3m2n | J74 | Carbonic anhydrase 2 | 4.2.1.1 | 0.544 | |
| 4mo8 | 2VQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.544 | |
| 3kig | DA4 | Carbonic anhydrase 2 | 4.2.1.1 | 0.543 | |
| 3bet | CTF | Carbonic anhydrase 2 | 4.2.1.1 | 0.542 | |
| 1bnv | AL7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.540 | |
| 2weh | FB1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.540 | |
| 1g4j | FFB | Carbonic anhydrase 2 | 4.2.1.1 | 0.539 | |
| 3m67 | E36 | Carbonic anhydrase 2 | 4.2.1.1 | 0.539 | |
| 3n2p | AYX | Carbonic anhydrase 2 | 4.2.1.1 | 0.539 | |
| 3igp | DT7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.536 | |
| 3m98 | E02 | Carbonic anhydrase 2 | 4.2.1.1 | 0.536 | |
| 4knj | E1F | Carbonic anhydrase 2 | 4.2.1.1 | 0.535 | |
| 1g45 | FSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.534 | |
| 3f4x | KLT | Carbonic anhydrase 2 | 4.2.1.1 | 0.534 | |
| 5flt | VJJ | Carbonic anhydrase 2 | 4.2.1.1 | 0.534 | |
| 1jd0 | AZM | Carbonic anhydrase 12 | 4.2.1.1 | 0.532 | |
| 3dbu | D8W | Carbonic anhydrase 2 | 4.2.1.1 | 0.532 | |
| 4itp | 1GD | Carbonic anhydrase 2 | 4.2.1.1 | 0.532 | |
| 3s8x | E59 | Carbonic anhydrase 2 | 4.2.1.1 | 0.531 | |
| 1bnt | AL2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.530 | |
| 1yda | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.528 | |
| 1cil | ETS | Carbonic anhydrase 2 | 4.2.1.1 | 0.527 | |
| 2x7u | WZA | Carbonic anhydrase 2 | 4.2.1.1 | 0.527 | |
| 3oik | WZB | Carbonic anhydrase 2 | 4.2.1.1 | 0.526 | |
| 1i9q | IOF | Carbonic anhydrase 2 | 4.2.1.1 | 0.524 | |
| 3dd8 | 2C7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.524 | |
| 1kwq | SG1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.523 | |
| 4m2r | BZ1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.523 | |
| 1i9n | IOA | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 3dcc | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 3mho | J43 | Carbonic anhydrase 2 | 4.2.1.1 | 0.522 | |
| 1bnm | AL8 | Carbonic anhydrase 2 | 4.2.1.1 | 0.521 | |
| 3ml2 | SU0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.521 | |
| 3oim | VZ5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.521 | |
| 3sbi | E90 | Carbonic anhydrase 2 | 4.2.1.1 | 0.520 | |
| 1if8 | SBS | Carbonic anhydrase 2 | 4.2.1.1 | 0.518 | |
| 3fw3 | ETS | Carbonic anhydrase 4 | 4.2.1.1 | 0.518 | |
| 1oq5 | CEL | Carbonic anhydrase 2 | 4.2.1.1 | 0.517 | |
| 3mdz | EZL | Carbonic anhydrase 7 | 4.2.1.1 | 0.517 | |
| 1eou | SMS | Carbonic anhydrase 2 | 4.2.1.1 | 0.516 | |
| 3m2y | BE0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.516 | |
| 3m96 | E38 | Carbonic anhydrase 2 | 4.2.1.1 | 0.515 | |
| 4ht2 | V50 | Carbonic anhydrase 12 | 4.2.1.1 | 0.515 | |
| 4ito | MPX | Carbonic anhydrase 2 | 4.2.1.1 | 0.514 | |
| 1g54 | FFB | Carbonic anhydrase 2 | 4.2.1.1 | 0.513 | |
| 1i9p | IOE | Carbonic anhydrase 2 | 4.2.1.1 | 0.512 | |
| 5fl4 | 9FK | Carbonic anhydrase 9 | 4.2.1.1 | 0.512 | |
| 1okn | STB | Carbonic anhydrase 2 | 4.2.1.1 | 0.511 | |
| 3s9t | E49 | Carbonic anhydrase 2 | 4.2.1.1 | 0.511 | |
| 3mna | DWH | Carbonic anhydrase 2 | 4.2.1.1 | 0.509 | |
| 3t84 | SG6 | Carbonic anhydrase 2 | 4.2.1.1 | 0.508 | |
| 3t85 | SG7 | Carbonic anhydrase 2 | 4.2.1.1 | 0.508 | |
| 4iwz | 1GO | Carbonic anhydrase 2 | 4.2.1.1 | 0.507 | |
| 3mzc | S6I | Carbonic anhydrase 2 | 4.2.1.1 | 0.505 | |
| 2h4n | AZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.504 | |
| 3mmf | D9H | Carbonic anhydrase 2 | 4.2.1.1 | 0.504 | |
| 3p5l | IT5 | Carbonic anhydrase 2 | 4.2.1.1 | 0.503 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.503 | |
| 1cny | EG3 | Carbonic anhydrase 2 | 4.2.1.1 | 0.500 | |
| 3m40 | J45 | Carbonic anhydrase 2 | 4.2.1.1 | 0.500 | |
| 1g4o | BSB | Carbonic anhydrase 2 | 4.2.1.1 | 0.499 | |
| 2pow | I7C | Carbonic anhydrase 2 | 4.2.1.1 | 0.498 | |
| 3myq | E27 | Carbonic anhydrase 2 | 4.2.1.1 | 0.498 | |
| 3f7u | AG4 | Carbonic anhydrase 4 | 4.2.1.1 | 0.497 | |
| 4ilx | 1EZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.497 | |
| 4k0z | MZM | Carbonic anhydrase 2 | 4.2.1.1 | 0.497 | |
| 4m2v | BZ1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.497 | |
| 4x5s | AZM | Carbonic anhydrase (Carbonate dehydratase) | / | 0.496 | |
| 4kp8 | E1G | Carbonic anhydrase 12 | 4.2.1.1 | 0.494 | |
| 3bl1 | BL1 | Carbonic anhydrase 2 | 4.2.1.1 | 0.493 | |
| 2weg | FBV | Carbonic anhydrase 2 | 4.2.1.1 | 0.492 | |
| 3dd0 | EZL | Carbonic anhydrase 2 | 4.2.1.1 | 0.491 | |
| 4k0t | D9Z | Carbonic anhydrase 2 | 4.2.1.1 | 0.489 | |
| 3n4b | WWZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.487 | |
| 3oy0 | OY0 | Carbonic anhydrase 2 | 4.2.1.1 | 0.487 | |
| 4k13 | ETS | Carbonic anhydrase 2 | 4.2.1.1 | 0.487 | |
| 4xiw | AZM | Carbonic anhydrase, alpha type | / | 0.487 | |
| 4knm | E1E | Carbonic anhydrase 13 | 4.2.1.1 | 0.485 | |
| 3mhc | ARZ | Carbonic anhydrase 2 | 4.2.1.1 | 0.484 | |
| 4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.483 | |
| 4lu3 | AZM | Carbonic anhydrase 14 | 4.2.1.1 | 0.483 | |
| 1okm | SAB | Carbonic anhydrase 2 | 4.2.1.1 | 0.480 | |
| 3l14 | I7B | Carbonic anhydrase 2 | 4.2.1.1 | 0.480 | |
| 3oys | OYS | Carbonic anhydrase 2 | 4.2.1.1 | 0.480 | |
| 4bf6 | X0Q | Carbonic anhydrase 2 | 4.2.1.1 | 0.480 | |
| 3f7b | AG5 | Carbonic anhydrase 4 | 4.2.1.1 | 0.479 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.479 | |
| 3wv9 | FEG | Hmd co-occurring protein HcgE | / | 0.478 | |
| 2iyf | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.476 | |
| 3znc | BZ1 | Carbonic anhydrase 4 | 4.2.1.1 | 0.476 | |
| 1cnx | EG2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.475 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.474 | |
| 4bf1 | 9FK | Carbonic anhydrase 2 | 4.2.1.1 | 0.474 | |
| 2q1q | OSP | Carbonic anhydrase 2 | 4.2.1.1 | 0.472 | |
| 3oyq | OYQ | Carbonic anhydrase 2 | 4.2.1.1 | 0.472 | |
| 2wej | FB2 | Carbonic anhydrase 2 | 4.2.1.1 | 0.471 | |
| 1rj6 | AZM | Carbonic anhydrase 14 | 4.2.1.1 | 0.470 | |
| 3n3j | WWV | Carbonic anhydrase 2 | 4.2.1.1 | 0.470 | |
| 3qe2 | FMN | NADPH--cytochrome P450 reductase | / | 0.470 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.469 | |
| 2g1r | 3IG | Renin | 3.4.23.15 | 0.469 | |
| 3mhi | J90 | Carbonic anhydrase 2 | 4.2.1.1 | 0.469 | |
| 3n0n | P9B | Carbonic anhydrase 2 | 4.2.1.1 | 0.468 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.468 | |
| 4kp5 | E1F | Carbonic anhydrase 12 | 4.2.1.1 | 0.468 | |
| 4a81 | DXC | Major pollen allergen Bet v 1-A | / | 0.465 | |
| 4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.465 | |
| 1psa | 0ZL | Pepsin A | 3.4.23.1 | 0.464 | |
| 2g24 | 7IG | Renin | 3.4.23.15 | 0.463 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.461 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.461 | |
| 2vn1 | FK5 | Peptidylprolyl isomerase | / | 0.460 | |
| 4dbc | 3QP | Aspartate aminotransferase | 2.6.1.1 | 0.460 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.458 | |
| 3dcw | EZL | Carbonic anhydrase 2 | 4.2.1.1 | 0.457 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.457 | |
| 1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.456 | |
| 2c20 | NAD | UDP-glucose 4-epimerase | / | 0.456 | |
| 2iku | LIY | Renin | 3.4.23.15 | 0.455 | |
| 2iko | 7IG | Renin | 3.4.23.15 | 0.454 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.453 | |
| 2g1s | 4IG | Renin | 3.4.23.15 | 0.453 | |
| 4dpt | AGS | Mevalonate diphosphate decarboxylase | / | 0.453 | |
| 3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.452 | |
| 4i1c | 1BE | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
| 4iah | 1DX | Alr2278 protein | / | 0.452 | |
| 2i4q | UA4 | Renin | 3.4.23.15 | 0.451 | |
| 2yj5 | ATP | Copper-transporting ATPase | / | 0.451 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.450 | |
| 2ft9 | CHD | Fatty acid-binding protein 2, liver | / | 0.450 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.450 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.450 | |
| 3gwf | NAP | Cyclohexanone monooxygenase | / | 0.450 | |
| 4a84 | DXC | Major pollen allergen Bet v 1-A | / | 0.450 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.449 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.449 | |
| 3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.449 | |
| 3oqk | S52 | Renin | 3.4.23.15 | 0.449 | |
| 4iae | 1DX | Alr2278 protein | / | 0.449 | |
| 2q7o | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.448 | |
| 1amo | FMN | NADPH--cytochrome P450 reductase | / | 0.447 | |
| 1xl8 | 152 | Peroxisomal carnitine O-octanoyltransferase | 2.3.1.137 | 0.447 | |
| 2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.447 | |
| 2z1q | FAD | Acyl-CoA dehydrogenase | / | 0.447 | |
| 4uov | AZM | Carbonate dehydratase | / | 0.447 | |
| 3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.446 | |
| 3oqf | S51 | Renin | 3.4.23.15 | 0.446 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.446 | |
| 1xva | SAM | Glycine N-methyltransferase | 2.1.1.20 | 0.445 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.445 | |
| 2g1y | 5IG | Renin | 3.4.23.15 | 0.445 | |
| 2g20 | L1A | Renin | 3.4.23.15 | 0.445 | |
| 2d3a | ADP | Glutamine synthetase root isozyme 3 | 6.3.1.2 | 0.444 | |
| 2g1o | 2IG | Renin | 3.4.23.15 | 0.444 | |
| 2xck | MH4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.444 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.444 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.444 | |
| 4j8t | DOG | Uncharacterized PhzA/B-like protein PA3332 | / | 0.444 | |
| 4m83 | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.444 | |
| 1uxy | EPU | UDP-N-acetylenolpyruvoylglucosamine reductase | 1.3.1.98 | 0.443 | |
| 3mpi | FAD | Glutaryl-CoA dehydrogenase | 1.3.99.32 | 0.443 | |
| 4itm | ATP | Tetraacyldisaccharide 4'-kinase | / | 0.443 | |
| 3cav | CI2 | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.442 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.442 | |
| 2d29 | FAD | Acyl-CoA dehydrogenase | / | 0.441 | |
| 2ojt | UBA | Glutamate receptor ionotropic, kainate 1 | / | 0.441 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.441 | |
| 4ke0 | 1R8 | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.441 | |
| 1ege | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.440 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.440 | |
| 2ea2 | F77 | Methionine aminopeptidase 2 | / | 0.440 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.440 | |
| 4lxk | 1YT | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.440 | |
| 4xoq | F42 | Coenzyme F420:L-glutamate ligase | / | 0.440 | |
| 4yao | FMN | NADPH--cytochrome P450 reductase | / | 0.440 |