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 |
|---|---|---|---|
| 3lcj | COA | Phosphopantetheine adenylyltransferase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3lcj | COA | Phosphopantetheine adenylyltransferase | / | 1.000 | |
| 3rba | COD | Phosphopantetheine adenylyltransferase | / | 0.594 | |
| 4nau | AGS | Phosphopantetheine adenylyltransferase | / | 0.499 | |
| 1esv | LAR | Actin, alpha skeletal muscle | / | 0.486 | |
| 1h6c | NDP | Glucose--fructose oxidoreductase | 1.1.99.28 | 0.485 | |
| 5a0y | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.485 | |
| 5a0y | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.485 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.482 | |
| 3ioc | A5D | Pantothenate synthetase | 6.3.2.1 | 0.476 | |
| 4fhd | 0TT | Spore photoproduct lyase | / | 0.473 | |
| 1tou | B1V | Fatty acid-binding protein, adipocyte | / | 0.472 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.471 | |
| 2r5n | TPP | Transketolase 1 | / | 0.471 | |
| 3fr5 | I4A | Fatty acid-binding protein, adipocyte | / | 0.470 | |
| 2pid | YSA | Tyrosine--tRNA ligase, mitochondrial | 6.1.1.1 | 0.469 | |
| 3apw | DP0 | Alpha-1-acid glycoprotein 2 | / | 0.469 | |
| 5kwv | ANP | Pantothenate synthetase | / | 0.469 | |
| 4fxy | 0W2 | Neurolysin, mitochondrial | 3.4.24.16 | 0.466 | |
| 4u0s | ADP | Adenosine monophosphate-protein transferase FICD | 2.7.7.n1 | 0.466 | |
| 1evj | NAD | Glucose--fructose oxidoreductase | 1.1.99.28 | 0.463 | |
| 1jdz | FMB | Purine nucleoside phosphorylase | / | 0.461 | |
| 1tow | CRZ | Fatty acid-binding protein, adipocyte | / | 0.461 | |
| 3e8x | NAP | BH1520 protein | / | 0.461 | |
| 3etd | NDP | Glutamate dehydrogenase 1, mitochondrial | 1.4.1.3 | 0.460 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.460 | |
| 1i59 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.459 | |
| 3qtt | ANP | Pantothenate synthetase | / | 0.457 | |
| 1ci0 | FMN | Pyridoxamine 5'-phosphate oxidase | 1.4.3.5 | 0.456 | |
| 1qru | ATP | Glutamine--tRNA ligase | 6.1.1.18 | 0.456 | |
| 1x27 | ASP_TYR_VAL_HIS_PTR | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.456 | |
| 3elb | C5P | Ethanolamine-phosphate cytidylyltransferase | 2.7.7.14 | 0.455 | |
| 4d04 | NAP | Phenylacetone monooxygenase | 1.14.13.92 | 0.455 | |
| 1nm5 | NAP | NAD(P) transhydrogenase subunit beta | 1.6.1.2 | 0.454 | |
| 2a9y | 26A | Adenosine kinase | 2.7.1.20 | 0.454 | |
| 3fr4 | F8A | Fatty acid-binding protein, adipocyte | / | 0.454 | |
| 4c77 | N01 | Phenylacetone monooxygenase | 1.14.13.92 | 0.454 | |
| 4fm8 | 0UQ | Beta-secretase 1 | 3.4.23.46 | 0.454 | |
| 4u0z | APC | Adenosine monophosphate-protein transferase FICD | 2.7.7.n1 | 0.454 | |
| 1vi2 | NAD | Quinate/shikimate dehydrogenase | / | 0.453 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 1vbm | YSA | Tyrosine--tRNA ligase | 6.1.1.1 | 0.452 | |
| 1h6b | NDP | Glucose--fructose oxidoreductase | 1.1.99.28 | 0.451 | |
| 4a99 | FAD | TetX family tetracycline inactivation enzyme | / | 0.451 | |
| 1rdw | LAR | Actin, alpha skeletal muscle | / | 0.450 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.450 | |
| 3aez | GDP | Pantothenate kinase | 2.7.1.33 | 0.450 | |
| 3e6y | CW1 | 14-3-3-like protein C | / | 0.450 | |
| 3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.450 | |
| 1jed | ADP | Sulfate adenylyltransferase | / | 0.449 | |
| 2xck | MH4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.449 | |
| 3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 4dan | 2FA | Purine nucleoside phosphorylase DeoD-type | 2.4.2.1 | 0.449 | |
| 1jil | 485 | Tyrosine--tRNA ligase | / | 0.448 | |
| 1ryd | NDP | Glucose--fructose oxidoreductase | 1.1.99.28 | 0.448 | |
| 1r6u | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.447 | |
| 3vx4 | ATP | Putative ABC transporter, ATP-binding protein ComA | / | 0.447 | |
| 5hg0 | SAM | Pantothenate synthetase | / | 0.447 | |
| 2ea2 | F77 | Methionine aminopeptidase 2 | / | 0.446 | |
| 2jlb | UDM | Uncharacterized protein | / | 0.446 | |
| 2qw0 | 34Z | 4-chlorobenzoyl CoA ligase | / | 0.446 | |
| 2ylr | NAP | Phenylacetone monooxygenase | 1.14.13.92 | 0.446 | |
| 3b1d | PLS | BetaC-S lyase | / | 0.446 | |
| 3p74 | FMN | Pentaerythritol tetranitrate reductase | / | 0.446 | |
| 4ba5 | PXG | Probable aminotransferase | / | 0.446 | |
| 1euy | QSI | Glutamine--tRNA ligase | 6.1.1.18 | 0.445 | |
| 1h6a | NDP | Glucose--fructose oxidoreductase | 1.1.99.28 | 0.445 | |
| 1n1d | C2G | Glycerol-3-phosphate cytidylyltransferase | 2.7.7.39 | 0.445 | |
| 1xjq | ADP | Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1 | 2.7.1.25 | 0.445 | |
| 2f3r | G5P | Guanylate kinase | 2.7.4.8 | 0.445 | |
| 3opx | U5P | Suppressor of disruption of TFIIS | / | 0.445 | |
| 4qbg | AP5 | Adenylate kinase | / | 0.445 | |
| 3hk1 | B64 | Fatty acid-binding protein, adipocyte | / | 0.444 | |
| 3kji | ADP | CO dehydrogenase/acetyl-CoA synthase complex, accessory protein CooC | / | 0.444 | |
| 3nd6 | ATP | Phosphopantetheine adenylyltransferase | / | 0.444 | |
| 4a6n | FAD | TetX family tetracycline inactivation enzyme | / | 0.444 | |
| 4eag | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.444 | |
| 1a5b | IGP | Tryptophan synthase alpha chain | / | 0.443 | |
| 1pnq | NDP | NAD(P) transhydrogenase subunit beta | 1.6.1.2 | 0.443 | |
| 2bb3 | SAH | Cobalamin biosynthesis precorrin-6Y methylase (CbiE) | / | 0.443 | |
| 2bn4 | NAP | NADPH--cytochrome P450 reductase | / | 0.443 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.443 | |
| 3i0p | NAD | Malate dehydrogenase, putative | / | 0.443 | |
| 4fdu | IHS | Putative multiple inositol polyphosphate histidine phosphatase 1 | / | 0.443 | |
| 4guk | P2G | Neuronal calcium sensor 1 | / | 0.443 | |
| 4hms | FMN | Phenazine biosynthesis protein PhzG | 1.4 | 0.443 | |
| 4hn1 | TYD | dTDP-4-dehydro-6-deoxyglucose 3-epimerase | 5.1.3.27 | 0.443 | |
| 1jdv | ADN | Purine nucleoside phosphorylase | / | 0.442 | |
| 3lnc | 5GP | Guanylate kinase | / | 0.442 | |
| 4yj2 | GTP | Tubulin alpha-1B chain | / | 0.442 | |
| 1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.441 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.441 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.441 | |
| 4i6g | FAD | Cryptochrome-2 | / | 0.441 | |
| 4ts9 | FMC | Purine nucleoside phosphorylase DeoD-type | / | 0.441 | |
| 4zj8 | SUV | Orexin receptor type 1 | / | 0.441 | |
| 2aa3 | AP0 | L-lactate dehydrogenase | / | 0.440 | |
| 2dzb | HH2 | Dihydropteroate synthase | / | 0.440 | |
| 2hun | NAD | 336aa long hypothetical dTDP-glucose 4,6-dehydratase | / | 0.440 | |
| 3c8a | ARG_ARG_GLY_LEU_NH2 | Botulinum neurotoxin type A | 3.4.24.69 | 0.440 | |
| 3fun | 798 | Leukotriene A-4 hydrolase | 3.3.2.6 | 0.440 | |
| 3jyp | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.440 | |
| 3m2u | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.440 | |
| 3vr8 | RQX | Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial | / | 0.440 | |
| 3vr8 | RQX | Cytochrome b-large subunit | / | 0.440 | |
| 4dpt | AGS | Mevalonate diphosphate decarboxylase | / | 0.440 |