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 |
|---|---|---|---|
| 2x06 | NAD | L-sulfolactate dehydrogenase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2x06 | NAD | L-sulfolactate dehydrogenase | / | 1.000 | |
| 1vbi | NAD | Malate/L-lactate dehydrogenase family protein | / | 0.492 | |
| 3in6 | FMN | Uncharacterized protein | / | 0.481 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.481 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.480 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.478 | |
| 2whq | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.477 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.470 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.470 | |
| 4eji | 0QA | Cytochrome P450 2A13 | 1.14.14.1 | 0.470 | |
| 2zsa | ADP | Pantothenate kinase | 2.7.1.33 | 0.468 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.465 | |
| 1ppj | ANY | Cytochrome b | / | 0.464 | |
| 2ea2 | F77 | Methionine aminopeptidase 2 | / | 0.464 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.463 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.462 | |
| 3e8x | NAP | BH1520 protein | / | 0.461 | |
| 3uoy | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.461 | |
| 3u9f | CLM | Chloramphenicol acetyltransferase | 2.3.1.28 | 0.460 | |
| 4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.460 | |
| 4prx | ADP | DNA gyrase subunit B | / | 0.460 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.459 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.457 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.457 | |
| 3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.457 | |
| 3fhx | PLP | Pyridoxal kinase | 2.7.1.35 | 0.456 | |
| 4a87 | NAR | Major pollen allergen Bet v 1-A | / | 0.456 | |
| 4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.456 | |
| 4udq | FAD | 5-(hydroxymethyl)furfural oxidase | / | 0.456 | |
| 2gev | COK | Pantothenate kinase | 2.7.1.33 | 0.455 | |
| 1x1d | SAH | C-20 methyltransferase | / | 0.454 | |
| 3h06 | VBP | Glutamate receptor 2 | / | 0.454 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.453 | |
| 2qw0 | 34Z | 4-chlorobenzoyl CoA ligase | / | 0.453 | |
| 3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.453 | |
| 4fxy | 0W2 | Neurolysin, mitochondrial | 3.4.24.16 | 0.453 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.452 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.451 | |
| 2x9d | ITC | Tetracycline repressor protein class D | / | 0.451 | |
| 3i0p | NAD | Malate dehydrogenase, putative | / | 0.451 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.451 | |
| 1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.450 | |
| 3br3 | ET | HTH-type transcriptional regulator QacR | / | 0.450 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.449 | |
| 4e2d | FMN | Dehydrogenase | / | 0.449 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.448 | |
| 2vig | FAD | Short-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.1 | 0.448 | |
| 3b9l | AZZ | Serum albumin | / | 0.448 | |
| 3jsi | WTC | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.448 | |
| 1gw2 | FER | Peroxidase C1A | 1.11.1.7 | 0.447 | |
| 2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.447 | |
| 2cft | PLP | Pyridoxal phosphate phosphatase | / | 0.447 | |
| 3fwj | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.447 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 4g2l | 0WL | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 2a0x | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.446 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.446 | |
| 3jpu | TY4 | Transcriptional activator protein LasR | / | 0.446 | |
| 3opx | U5P | Suppressor of disruption of TFIIS | / | 0.446 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.445 | |
| 3qgf | 46F | Genome polyprotein | 2.7.7.48 | 0.445 | |
| 4a81 | DXC | Major pollen allergen Bet v 1-A | / | 0.445 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.445 | |
| 4l4f | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.445 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.444 | |
| 2ed3 | SAH | Diphthine synthase | / | 0.444 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.444 | |
| 3t4e | NAD | Quinate/shikimate dehydrogenase | / | 0.444 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.444 | |
| 1a8r | GTP | GTP cyclohydrolase 1 | 3.5.4.16 | 0.443 | |
| 1a9c | GTP | GTP cyclohydrolase 1 | 3.5.4.16 | 0.443 | |
| 4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.442 | |
| 1t4c | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.442 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.442 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 3wag | TYD | Glycosyltransferase | / | 0.442 | |
| 4x7z | ZM3 | Mycinamicin III 3''-O-methyltransferase | 2.1.1.237 | 0.442 | |
| 2a0y | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.441 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.441 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.441 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.441 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.441 | |
| 4ek1 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.441 | |
| 1kbo | 340 | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.440 | |
| 1u8v | FAD | 4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase | / | 0.440 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.440 | |
| 2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 2hrc | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.440 | |
| 2o1s | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.440 | |
| 3dva | TPW | Pyruvate dehydrogenase E1 component subunit alpha | 1.2.4.1 | 0.440 | |
| 3dva | TPW | Pyruvate dehydrogenase E1 component subunit beta | 1.2.4.1 | 0.440 | |
| 3pm1 | ET | HTH-type transcriptional regulator QacR | / | 0.440 | |
| 3pqb | VGP | Putative oxidoreductase | / | 0.440 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 | |
| 4z87 | GDP | Inosine-5'-monophosphate dehydrogenase | / | 0.440 |