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 |
|---|---|---|---|
| 1m8j | NAD | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1m8j | NAD | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 1.000 | |
| 1ej2 | NAD | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 0.634 | |
| 1m8g | NAD | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 0.522 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.482 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.482 | |
| 1r6u | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.478 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.471 | |
| 1nuq | NXX | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.471 | |
| 2quj | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.463 | |
| 5ein | NAP | [LysW]-L-2-aminoadipate 6-phosphate reductase | / | 0.463 | |
| 1xjq | ADP | Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 | 2.7.1.25 | 0.458 | |
| 3kt3 | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.457 | |
| 3m2v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.457 | |
| 2yxu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.454 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.453 | |
| 3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.453 | |
| 3p62 | FMN | Pentaerythritol tetranitrate reductase | / | 0.453 | |
| 4egb | NAD | dTDP-glucose 4,6-dehydratase | / | 0.453 | |
| 3ivc | FG4 | Pantothenate synthetase | 6.3.2.1 | 0.452 | |
| 3p8j | FMN | Pentaerythritol tetranitrate reductase | / | 0.451 | |
| 4wxf | PLG | Serine hydroxymethyltransferase | / | 0.451 | |
| 1rfv | ADP | Pyridoxal kinase | 2.7.1.35 | 0.449 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.449 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.449 | |
| 3dmt | NAD | Glyceraldehyde-3-phosphate dehydrogenase, glycosomal | 1.2.1.12 | 0.449 | |
| 3jun | AJD | Phenazine biosynthesis protein A/B | / | 0.449 | |
| 3rba | COD | Phosphopantetheine adenylyltransferase | / | 0.449 | |
| 4a2a | ATP | Cell division protein FtsA | / | 0.449 | |
| 3fun | 798 | Leukotriene A-4 hydrolase | 3.3.2.6 | 0.448 | |
| 4yek | THM | Thymidine phosphorylase | / | 0.448 | |
| 1rfu | ADP | Pyridoxal kinase | 2.7.1.35 | 0.446 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.446 | |
| 3tr0 | 5GP | Guanylate kinase | / | 0.446 | |
| 1n1d | C2G | Glycerol-3-phosphate cytidylyltransferase | 2.7.7.39 | 0.445 | |
| 1u8v | FAD | 4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase | / | 0.445 | |
| 2r2n | KYN | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.445 | |
| 2y3r | TRK | TamL | / | 0.445 | |
| 4yao | 2AM | NADPH--cytochrome P450 reductase | / | 0.445 | |
| 1n2h | PAJ | Pantothenate synthetase | 6.3.2.1 | 0.444 | |
| 1n4s | CYS_VAL_ILE_LEU_GER | Geranylgeranyl transferase type-1 subunit beta | 2.5.1.59 | 0.444 | |
| 2xiq | 5AD | Methylmalonyl-CoA mutase, mitochondrial | / | 0.444 | |
| 3ful | 52D | Leukotriene A-4 hydrolase | 3.3.2.6 | 0.444 | |
| 2vtd | LKM | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.443 | |
| 1jed | ADP | Sulfate adenylyltransferase | / | 0.442 | |
| 3keu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.442 | |
| 3kt8 | LTN | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.442 | |
| 4req | 5AD | Methylmalonyl-CoA mutase large subunit | 5.4.99.2 | 0.442 | |
| 1hdg | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.440 | |
| 1i59 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.440 | |
| 2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.440 | |
| 4m49 | 22Y | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.440 |