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 |
|---|---|---|---|
| 3opm | LUI | Dipeptidyl peptidase 4 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3opm | LUI | Dipeptidyl peptidase 4 | / | 1.000 | |
| 3ccc | 7AC | Dipeptidyl peptidase 4 | / | 0.674 | |
| 3g0b | T22 | Dipeptidyl peptidase 4 | / | 0.652 | |
| 4a5s | N7F | Dipeptidyl peptidase 4 | / | 0.627 | |
| 4g1f | 0WG | Dipeptidyl peptidase 4 | / | 0.622 | |
| 3g0d | XIH | Dipeptidyl peptidase 4 | / | 0.619 | |
| 3g0g | RUM | Dipeptidyl peptidase 4 | / | 0.611 | |
| 3qbj | NXZ | Dipeptidyl peptidase 4 | / | 0.601 | |
| 2aj8 | SC3 | Dipeptidyl peptidase 4 | / | 0.573 | |
| 3f8s | PF2 | Dipeptidyl peptidase 4 | / | 0.558 | |
| 2rgu | 356 | Dipeptidyl peptidase 4 | / | 0.552 | |
| 2f3r | G5P | Guanylate kinase | 2.7.4.8 | 0.517 | |
| 3vjl | W94 | Dipeptidyl peptidase 4 | / | 0.513 | |
| 4ffw | 715 | Dipeptidyl peptidase 4 | / | 0.501 | |
| 1z44 | FMN | NADPH dehydrogenase | / | 0.486 | |
| 3e34 | ED1 | Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha | / | 0.485 | |
| 3e34 | ED1 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.485 | |
| 1icp | FMN | 12-oxophytodienoate reductase 1 | 1.3.1.42 | 0.484 | |
| 3muo | ZPR | Prolyl endopeptidase | / | 0.480 | |
| 2zsa | ADP | Pantothenate kinase | 2.7.1.33 | 0.477 | |
| 4gdc | NDP | UDP-galactopyranose mutase | / | 0.476 | |
| 4lut | DCS | Alanine racemase | / | 0.474 | |
| 3tr0 | 5GP | Guanylate kinase | / | 0.472 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.466 | |
| 2whq | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.465 | |
| 4c13 | UML | UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--L-lysine ligase | / | 0.465 | |
| 2a5h | SAM | L-lysine 2,3-aminomutase | 5.4.3.2 | 0.463 | |
| 3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.463 | |
| 1k4m | NAD | Nicotinate-nucleotide adenylyltransferase | 2.7.7.18 | 0.462 | |
| 1z41 | FMN | NADPH dehydrogenase | / | 0.462 | |
| 2h8x | FMN | XenA | / | 0.461 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.461 | |
| 2xuo | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
| 3to3 | ATP | Petrobactin biosynthesis protein AsbB | / | 0.461 | |
| 3v0p | 4GW | Histo-blood group ABO system transferase | / | 0.461 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.460 | |
| 4rvg | TYD | D-mycarose 3-C-methyltransferase | / | 0.460 | |
| 2oae | AIL | Dipeptidyl peptidase 4 | / | 0.459 | |
| 3ivm | ZPR | Prolyl endopeptidase | / | 0.458 | |
| 2ges | COK | Pantothenate kinase | 2.7.1.33 | 0.457 | |
| 2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 3nh8 | DC2 | N-acyl-aromatic-L-amino acid amidohydrolase (carboxylate-forming) | 3.5.1.114 | 0.457 | |
| 4gv0 | 8ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.457 | |
| 4f5y | C2E | Stimulator of interferon genes protein | / | 0.456 | |
| 3aez | GDP | Pantothenate kinase | 2.7.1.33 | 0.455 | |
| 3ukf | GDU | UDP-galactopyranose mutase | / | 0.455 | |
| 4bqz | GNP | Ectonucleoside triphosphate diphosphohydrolase 2 | / | 0.455 | |
| 1p4a | PCP | Pur operon repressor | / | 0.454 | |
| 1r6u | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.454 | |
| 3int | GDU | UDP-galactopyranose mutase | 5.4.99.9 | 0.454 | |
| 1z48 | FMN | NADPH dehydrogenase | / | 0.453 | |
| 1jil | 485 | Tyrosine--tRNA ligase | / | 0.452 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 2g24 | 7IG | Renin | 3.4.23.15 | 0.452 | |
| 3ksq | Z96 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.452 | |
| 3l5l | FMN | Xenobiotic reductase | / | 0.452 | |
| 3nub | UD0 | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.452 | |
| 1bwl | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.451 | |
| 3kt3 | TYM | Tryptophan--tRNA ligase, cytoplasmic | 6.1.1.2 | 0.451 | |
| 4b7z | Q4Q | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 4c49 | HCY | Corticosteroid-binding globulin | / | 0.451 | |
| 2zsb | ADP | Pantothenate kinase | 2.7.1.33 | 0.450 | |
| 3h0b | B35 | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 3hf3 | FMN | Chromate reductase | / | 0.450 | |
| 4loi | 1YC | Stimulator of interferon genes protein | / | 0.450 | |
| 4rxq | DUT | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.450 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.449 | |
| 2i65 | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.449 | |
| 3apw | DP0 | Alpha-1-acid glycoprotein 2 | / | 0.449 | |
| 3fvl | BHK | Carboxypeptidase A1 | 3.4.17.1 | 0.449 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.449 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.449 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.449 | |
| 4r81 | FMN | Predicted NADH dehydrogenase | / | 0.449 | |
| 1ju2 | FAD | (R)-mandelonitrile lyase 2 | 4.1.2.10 | 0.448 | |
| 1wkh | PPE | [LysW]-aminoadipate semialdehyde transaminase | / | 0.448 | |
| 2ilv | C5P | Alpha-2,3/2,6-sialyltransferase/sialidase | / | 0.448 | |
| 2xje | U5P | Cytosolic purine 5'-nucleotidase | 3.1.3.5 | 0.448 | |
| 5c3a | URM | Histo-blood group ABO system transferase | / | 0.448 | |
| 1szg | FNS | Cytochrome b2, mitochondrial | 1.1.2.3 | 0.447 | |
| 2ex1 | C5P | Alpha-2,3/2,6-sialyltransferase/sialidase | / | 0.447 | |
| 4awt | FMN | NADH:flavin oxidoreductase Sye1 | / | 0.447 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.447 | |
| 5cfl | C2E | Stimulator of interferon genes protein | / | 0.447 | |
| 1n2i | PAJ | Pantothenate synthetase | 6.3.2.1 | 0.446 | |
| 2an9 | GDP | Guanylate kinase | 2.7.4.8 | 0.446 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 3qgf | 46F | Genome polyprotein | 2.7.7.48 | 0.446 | |
| 3v0o | 4GW | Histo-blood group ABO system transferase | / | 0.446 | |
| 2iib | C5P | Alpha-2,3/2,6-sialyltransferase/sialidase | / | 0.445 | |
| 3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.445 | |
| 3ziu | LSS | Leucyl-tRNA synthetase | / | 0.445 | |
| 4gdd | NAI | UDP-galactopyranose mutase | / | 0.445 | |
| 4j7h | TRH | PCZA361.3 | / | 0.445 | |
| 4mvc | CDC | Choline-phosphate cytidylyltransferase A | / | 0.445 | |
| 5ah5 | LSS | Leucine--tRNA ligase | / | 0.445 | |
| 5czy | SAM | Eukaryotic huntingtin interacting protein B | / | 0.445 | |
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 2hs6 | FMN | 12-oxophytodienoate reductase 3 | 1.3.1.42 | 0.444 | |
| 3frk | TQP | QdtB | / | 0.444 | |
| 4d6q | PD2 | Lysine-specific demethylase 4D | 1.14.11 | 0.444 | |
| 4mrm | 2BY | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.444 | |
| 1nhk | CMP | Nucleoside diphosphate kinase | 2.7.4.6 | 0.443 | |
| 1qbq | HFP | Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha | / | 0.443 | |
| 1qbq | HFP | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.443 | |
| 1vft | DCS | Alanine racemase | / | 0.443 | |
| 2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.443 | |
| 3h2s | NDP | Putative NADH-flavin reductase | / | 0.443 | |
| 3hdy | GDU | UDP-galactopyranose mutase | / | 0.443 | |
| 3udj | 092 | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.442 | |
| 1jcq | 739 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.442 | |
| 2anb | 5GP | Guanylate kinase | 2.7.4.8 | 0.442 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.442 | |
| 3jsz | UPG | Uncharacterized protein | / | 0.442 | |
| 4die | C5P | Cytidylate kinase | / | 0.442 | |
| 4gv8 | DUP | DUTPase | / | 0.442 | |
| 4hmz | 18T | dTDP-4-dehydro-6-deoxyglucose 3-epimerase | 5.1.3.27 | 0.442 | |
| 4rvd | SAM | D-mycarose 3-C-methyltransferase | / | 0.442 | |
| 4wdg | A2P | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.442 | |
| 2bb3 | SAH | Cobalamin biosynthesis precorrin-6Y methylase (CbiE) | / | 0.441 | |
| 4kc2 | WS2 | Histo-blood group ABO system transferase | / | 0.441 | |
| 1h6c | NDP | Glucose--fructose oxidoreductase | 1.1.99.28 | 0.440 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 1n2j | PAF | Pantothenate synthetase | 6.3.2.1 | 0.440 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 1s20 | NAD | 2,3-diketo-L-gulonate reductase | 1.1.1.130 | 0.440 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 3fvu | IAC | Kynurenine--oxoglutarate transaminase 1 | 2.6.1.7 | 0.440 | |
| 4gtv | 7TR | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.440 |