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 |
|---|---|---|---|
| 1d0v | RBZ | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1d0v | RBZ | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 1.000 | |
| 1jha | AAM | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.734 | |
| 1l4g | NCN | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.680 | |
| 1l5k | 1RB | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.672 | |
| 1l4k | NCN | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.667 | |
| 1l4h | NCN | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.664 | |
| 1jhr | P2P | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.660 | |
| 1l4m | NCN | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.633 | |
| 1l4f | NCN | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.602 | |
| 1l4l | NCN | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.574 | |
| 1l5m | 7RA | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.549 | |
| 1l4e | RBZ | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.524 | |
| 1jhq | PMO | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.522 | |
| 1l5o | NCN | Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase | 2.4.2.21 | 0.484 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.479 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.475 | |
| 2eq6 | FAD | Dihydrolipoyl dehydrogenase | / | 0.474 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.466 | |
| 4ips | 1G4 | Mycocyclosin synthase | 1.14.21.9 | 0.464 | |
| 2b4t | AES | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.463 | |
| 5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.461 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.460 | |
| 2fy4 | COA | Choline O-acetyltransferase | 2.3.1.6 | 0.459 | |
| 4ktf | 1TM | Cytochrome P450 | / | 0.459 | |
| 2xfs | J01 | Uncharacterized protein | / | 0.458 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 4a8v | 2AN | Major pollen allergen Bet v 1-J | / | 0.458 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.457 | |
| 3lfm | 3DT | Alpha-ketoglutarate-dependent dioxygenase FTO | / | 0.457 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.456 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 3mvq | NDP | Glutamate dehydrogenase 1, mitochondrial | 1.4.1.3 | 0.456 | |
| 3nl6 | TPS | Uncharacterized protein | / | 0.456 | |
| 4iwq | 1FV | Serine/threonine-protein kinase TBK1 | 2.7.11.1 | 0.456 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.455 | |
| 2yj4 | ATP | Copper-transporting ATPase | / | 0.455 | |
| 3gvi | ADP | Malate dehydrogenase | / | 0.455 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 3t3q | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.454 | |
| 4ktl | 1CQ | Cytochrome P450 | / | 0.454 | |
| 1mei | XMP | Inosine-5'-monophosphate dehydrogenase | / | 0.453 | |
| 1owm | FAD | Deoxyribodipyrimidine photo-lyase | 4.1.99.3 | 0.453 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.453 | |
| 4g48 | PZB | Mycocyclosin synthase | 1.14.21.9 | 0.453 | |
| 3ixp | 834 | Ecdysone receptor | / | 0.452 | |
| 3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.451 | |
| 3g5h | YTT | Mycocyclosin synthase | 1.14.21.9 | 0.451 | |
| 1t85 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
| 2ccu | 2D9 | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 3oib | FDA | Putative acyl-CoA dehydrogenase | / | 0.450 | |
| 4uyf | 73B | Bromodomain-containing protein 2 | / | 0.450 | |
| 1dz4 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.449 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 4rcv | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.449 | |
| 4ea3 | 0NN | Nociceptin receptor | / | 0.449 | |
| 2xh9 | J01 | Uncharacterized protein | / | 0.448 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.448 | |
| 4i02 | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.448 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.447 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.447 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.447 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.447 | |
| 4y8w | STR | Steroid 21-hydroxylase | / | 0.447 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.446 | |
| 4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.446 | |
| 1dbv | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.445 | |
| 1lso | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.444 | |
| 1mok | FAD | 2-oxopropyl-CoM reductase, carboxylating | 1.8.1.5 | 0.444 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.444 | |
| 2hma | SAM | tRNA-specific 2-thiouridylase MnmA | / | 0.444 | |
| 2nq8 | ZID | Enoyl-ACP reductase | / | 0.444 | |
| 3t3r | 9PL | Cytochrome P450 2A6 | 1.14.13 | 0.444 | |
| 3zh8 | C58 | Protein kinase C iota type | 2.7.11.13 | 0.444 | |
| 4ipw | 1G7 | Mycocyclosin synthase | 1.14.21.9 | 0.444 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.444 | |
| 5k5z | ANP | Uncharacterized protein | / | 0.444 | |
| 1kc1 | NDP | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.443 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.443 | |
| 2q4b | NAP | Uncharacterized protein At5g02240 | / | 0.443 | |
| 2uuv | FAD | Alkyldihydroxyacetonephosphate synthase | 2.5.1.26 | 0.443 | |
| 2zgy | GDP | Plasmid segregation protein ParM | / | 0.443 | |
| 3kdu | NKS | Peroxisome proliferator-activated receptor alpha | / | 0.443 | |
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
| 4fmx | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.443 | |
| 4rlh | 0WE | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.443 | |
| 1dg8 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.442 | |
| 1v35 | NAI | Enoyl-ACP reductase | / | 0.442 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.442 | |
| 2y4g | TIR | TamL | / | 0.442 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.442 | |
| 4cvm | ANP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.442 | |
| 4ftt | 6HK | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.442 | |
| 1f17 | NAI | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.441 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.441 | |
| 3i6i | NDP | Putative leucoanthocyanidin reductase 1 | / | 0.441 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 4jdr | FAD | Dihydrolipoyl dehydrogenase | 1.8.1.4 | 0.441 | |
| 4lb2 | DM5 | Serum albumin | / | 0.441 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.441 | |
| 1t13 | INI | 6,7-dimethyl-8-ribityllumazine synthase 2 | / | 0.440 | |
| 1xq6 | NAP | Uncharacterized protein At5g02240 | / | 0.440 | |
| 3a9w | NAD | NDP-sugar epimerase | / | 0.440 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.440 | |
| 4bge | PYW | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.440 | |
| 4jld | ADP | Adenylate kinase | / | 0.440 |