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 |
|---|---|---|---|
| 3eq1 | DPM | Porphobilinogen deaminase | 2.5.1.61 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3eq1 | DPM | Porphobilinogen deaminase | 2.5.1.61 | 1.000 | |
| 3uvp | 048 | Mitogen-activated protein kinase 14 | / | 0.487 | |
| 1g4t | FTP | Thiamine-phosphate synthase | / | 0.480 | |
| 1k6t | XN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.480 | |
| 2qfx | NDP | Isocitrate dehydrogenase [NADP], mitochondrial | 1.1.1.42 | 0.475 | |
| 4bc6 | XZN | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.474 | |
| 1d7y | FAD | Ferredoxin reductase | / | 0.473 | |
| 4ite | TEY | Vitamin D3 receptor | / | 0.473 | |
| 4mxx | DB8 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.473 | |
| 1g67 | TZP | Thiamine-phosphate synthase | / | 0.470 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.470 | |
| 1kgj | FL8 | Transthyretin | / | 0.468 | |
| 4be7 | ATP | Type I restriction enzyme EcoR124II R protein | 3.1.21.3 | 0.468 | |
| 1g6c | IFP | Thiamine-phosphate synthase | / | 0.467 | |
| 2b9w | FAD | Putative aminooxidase | / | 0.467 | |
| 1fm7 | DFV | Chalcone--flavonone isomerase 1 | 5.5.1.6 | 0.466 | |
| 1sn0 | T44 | Transthyretin | / | 0.465 | |
| 3w0a | DS5 | Vitamin D3 receptor | / | 0.465 | |
| 3ix9 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.464 | |
| 4c04 | SFG | Protein arginine N-methyltransferase 6 | / | 0.463 | |
| 1g69 | TZP | Thiamine-phosphate synthase | / | 0.462 | |
| 1pnv | TYD | dTDP-epi-vancosaminyltransferase | 2.4.1.311 | 0.461 | |
| 3w0j | T08 | Vitamin D3 receptor | / | 0.461 | |
| 1fpq | SAM | Isoliquiritigenin 2'-O-methyltransferase | / | 0.460 | |
| 1h1w | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.460 | |
| 2bsm | BSM | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 2q4b | NAP | Uncharacterized protein At5g02240 | / | 0.460 | |
| 1ii6 | ADP | Kinesin-like protein KIF11 | / | 0.459 | |
| 1s60 | COA | Aminoglycoside N(6')-acetyltransferase type 1 | / | 0.459 | |
| 1xq6 | NAP | Uncharacterized protein At5g02240 | / | 0.459 | |
| 4y12 | AGS | Serine/threonine-protein kinase PknG | 2.7.11.1 | 0.459 | |
| 1g4s | TPS | Thiamine-phosphate synthase | / | 0.458 | |
| 1sn5 | T3 | Transthyretin | / | 0.458 | |
| 2o4r | VD5 | Vitamin D3 receptor | / | 0.457 | |
| 3chw | ATP | Major actin | / | 0.457 | |
| 4rph | FAD | UDP-galactopyranose mutase | 5.4.99.9 | 0.457 | |
| 1jm6 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.456 | |
| 2bhi | SFT | Cytotoxin 3 | / | 0.456 | |
| 2izr | BRK | Casein kinase I isoform gamma-3 | 2.7.11.1 | 0.456 | |
| 1osv | CHC | Bile acid receptor | / | 0.455 | |
| 2q36 | ATP | Actin, alpha skeletal muscle | / | 0.455 | |
| 2v9j | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.455 | |
| 3k14 | 535 | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | / | 0.455 | |
| 3ort | AGS | Serine/threonine protein kinase | / | 0.455 | |
| 4at9 | UTP | Interleukin enhancer-binding factor 2 | / | 0.455 | |
| 4l8u | 9AZ | Serum albumin | / | 0.455 | |
| 1fnn | ADP | ORC1-type DNA replication protein | / | 0.454 | |
| 1s5k | COA | Aminoglycoside N(6')-acetyltransferase type 1 | / | 0.454 | |
| 2rio | ADP | Serine/threonine-protein kinase/endoribonuclease IRE1 | 2.7.11.1 | 0.454 | |
| 4fhh | 0U3 | Vitamin D3 receptor A | / | 0.454 | |
| 1cm8 | ANP | Mitogen-activated protein kinase 12 | / | 0.453 | |
| 1rk3 | VDX | Vitamin D3 receptor | / | 0.453 | |
| 2qoc | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.453 | |
| 4i6g | FAD | Cryptochrome-2 | / | 0.453 | |
| 1nlv | ATP | Major actin | / | 0.452 | |
| 2hcd | BIV | Vitamin D3 receptor A | / | 0.452 | |
| 2py3 | ACP | Fibroblast growth factor receptor 2 | / | 0.452 | |
| 3w0p | ADP | Hygromycin-B 4-O-kinase | 2.7.1.163 | 0.452 | |
| 4bbx | LKF | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.452 | |
| 1p0h | ACO | Mycothiol acetyltransferase | 2.3.1.189 | 0.451 | |
| 2x7b | COA | N-alpha-acetyltransferase | 2.3.1 | 0.451 | |
| 4fyx | DCP | Aspartate carbamoyltransferase regulatory chain | / | 0.451 | |
| 1h1v | ATP | Actin, alpha skeletal muscle | / | 0.450 | |
| 1nm1 | ATP | Major actin | / | 0.450 | |
| 1reo | FAD | L-amino-acid oxidase | 1.4.3.2 | 0.450 | |
| 1y60 | H4M | 5,6,7,8-tetrahydromethanopterin hydro-lyase | 4.2.1.147 | 0.450 | |
| 2xtz | GSP | Guanine nucleotide-binding protein alpha-1 subunit | / | 0.450 | |
| 2zm1 | KSF | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.450 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 3s87 | DGT | Ribonucleoside-diphosphate reductase large chain 1 | 1.17.4.1 | 0.450 | |
| 3sjz | GNP | Translation initiation factor 2 subunit gamma | / | 0.450 | |
| 3w0s | ANP | Hygromycin-B 4-O-kinase | 2.7.1.163 | 0.450 | |
| 4ho8 | THM | Glucose-1-phosphate thymidylyltransferase | / | 0.450 | |
| 4itf | TFY | Vitamin D3 receptor | / | 0.450 | |
| 5c8y | ACP | Tubulin tyrosine ligase | / | 0.450 | |
| 1ee0 | CAA | 2-pyrone synthase | / | 0.449 | |
| 1g6c | TZP | Thiamine-phosphate synthase | / | 0.449 | |
| 1nmd | ATP | Major actin | / | 0.449 | |
| 1rjk | VDZ | Vitamin D3 receptor | / | 0.449 | |
| 1yp3 | ATP | Glucose-1-phosphate adenylyltransferase small subunit, chloroplastic/amyloplastic | 2.7.7.27 | 0.449 | |
| 1ywr | LI9 | Mitogen-activated protein kinase 14 | / | 0.449 | |
| 3ez2 | ADP | Plasmid partition protein A | / | 0.449 | |
| 3pjt | C2E | Diguanylate cyclase/phosphodiesterase | / | 0.449 | |
| 4x2d | ATP | Fic family protein putative filamentation induced by cAMP protein | / | 0.449 | |
| 1ijj | ATP | Actin, alpha skeletal muscle | / | 0.448 | |
| 1s3z | COA | Aminoglycoside N(6')-acetyltransferase type 1 | / | 0.448 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 3uwq | U5P | Orotidine 5'-phosphate decarboxylase | / | 0.448 | |
| 3vrw | YS5 | Vitamin D3 receptor | / | 0.448 | |
| 3zon | IK1 | Non-receptor tyrosine-protein kinase TYK2 | 2.7.10.2 | 0.448 | |
| 4a9i | P9I | Bromodomain-containing protein 2 | / | 0.448 | |
| 1h6v | NDP | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.447 | |
| 1hk2 | T44 | Serum albumin | / | 0.447 | |
| 1hw5 | CMP | cAMP-activated global transcriptional regulator CRP | / | 0.447 | |
| 2bun | FAD | AppA protein | / | 0.447 | |
| 2ev9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.447 | |
| 2qoq | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.447 | |
| 3ac5 | KZM | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.447 | |
| 3flk | NAI | Tartrate dehydrogenase/decarboxylase | 1.1.1.93 | 0.447 | |
| 3okx | SAM | S-adenosyl-L-methionine-binding protein RPA0152 | / | 0.447 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.447 | |
| 3w5t | LHP | Vitamin D3 receptor | / | 0.447 | |
| 4p13 | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.447 | |
| 4rd2 | GNP | Translation initiation factor 2 subunit gamma | / | 0.447 | |
| 4y0x | ADP | Serine/threonine-protein kinase PknG | 2.7.11.1 | 0.447 | |
| 1fnd | A2P | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.446 | |
| 1g1l | DAU | Glucose-1-phosphate thymidylyltransferase | / | 0.446 | |
| 1k6c | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 1o6y | ACP | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.446 | |
| 1txi | TX5 | Vitamin D3 receptor | / | 0.446 | |
| 1zyj | BI5 | Mitogen-activated protein kinase 14 | / | 0.446 | |
| 2itp | AEE | Epidermal growth factor receptor | 2.7.10.1 | 0.446 | |
| 2q5q | TPW | Indole-3-pyruvate decarboxylase | 4.1.1.74 | 0.446 | |
| 3a78 | 3EV | Vitamin D3 receptor | / | 0.446 | |
| 3umv | FAD | Deoxyribodipyrimidine photo-lyase | 4.1.99.3 | 0.446 | |
| 3vjo | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.446 | |
| 3zvv | XAZ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.446 | |
| 4ct1 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.446 | |
| 4qms | 1N1 | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.446 | |
| 1aj8 | COA | Citrate synthase | / | 0.445 | |
| 2b1p | AIZ | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.445 | |
| 2dq7 | STU | Tyrosine-protein kinase Fyn | 2.7.10.2 | 0.445 | |
| 2ham | C33 | Vitamin D3 receptor | / | 0.445 | |
| 2hb7 | O1C | Vitamin D3 receptor | / | 0.445 | |
| 2itq | ITQ | Epidermal growth factor receptor | 2.7.10.1 | 0.445 | |
| 3pcr | GTP | ADP-ribosylation factor 6 | / | 0.445 | |
| 4ho8 | UPG | Glucose-1-phosphate thymidylyltransferase | / | 0.445 | |
| 4lj8 | ADP | Chaperone protein ClpB | / | 0.445 | |
| 4nt0 | 3DU | Orotidine 5'-phosphate decarboxylase | 4.1.1.23 | 0.445 | |
| 4wkq | IRE | Epidermal growth factor receptor | 2.7.10.1 | 0.445 | |
| 1h5r | THM | Glucose-1-phosphate thymidylyltransferase 1 | / | 0.444 | |
| 1qz5 | ATP | Actin, alpha skeletal muscle | / | 0.444 | |
| 2d0o | ADP | Diol dehydratase-reactivating factor alpha subunit | / | 0.444 | |
| 2ivu | ZD6 | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.444 | |
| 3a14 | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.444 | |
| 3f8k | COA | Uncharacterized protein | / | 0.444 | |
| 3jvh | HHV | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | / | 0.444 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 4g21 | 0VP | Vitamin D3 receptor A | / | 0.444 | |
| 4riy | ADP | Epidermal growth factor receptor | 2.7.10.1 | 0.444 | |
| 5c88 | COA | N-alpha-acetyltransferase | / | 0.444 | |
| 1ie8 | KH1 | Vitamin D3 receptor | / | 0.443 | |
| 1jbp | ADP | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.443 | |
| 1njf | AGS | DNA polymerase III subunit tau | 2.7.7.7 | 0.443 | |
| 1svm | ATP | Large T antigen | 3.6.4 | 0.443 | |
| 1y56 | FMN | Uncharacterized protein | / | 0.443 | |
| 1y56 | FMN | 382aa long hypothetical sarcosine oxidase | / | 0.443 | |
| 2b56 | UTP | RNA editing complex protein MP57 | / | 0.443 | |
| 2c0o | L2G | Tyrosine-protein kinase HCK | 2.7.10.2 | 0.443 | |
| 2itn | ANP | Epidermal growth factor receptor | 2.7.10.1 | 0.443 | |
| 2qo6 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.443 | |
| 2xka | GSP | Cell division protein FtsZ | / | 0.443 | |
| 3a99 | ANP | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.443 | |
| 3tdl | 11D | Serum albumin | / | 0.443 | |
| 3tqh | NDP | Quinone oxidoreductase | / | 0.443 | |
| 3ttj | JBI | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.443 | |
| 4c4g | 7RO | Dual specificity protein kinase TTK | 2.7.12.1 | 0.443 | |
| 4e2b | FMN | Dehydrogenase | / | 0.443 | |
| 4eny | J19 | Serine/threonine-protein kinase pim-1 | 2.7.11.1 | 0.443 | |
| 4ieb | ANP | Calmodulin-domain protein kinase 1 | / | 0.443 | |
| 4jrv | KJV | Epidermal growth factor receptor | 2.7.10.1 | 0.443 | |
| 5awm | ANP | Stress-activated protein kinase JNK | 2.7.11.24 | 0.443 | |
| 1ju6 | LYA | Thymidylate synthase | 2.1.1.45 | 0.442 | |
| 1m17 | AQ4 | Epidermal growth factor receptor | 2.7.10.1 | 0.442 | |
| 1ykd | CMP | Adenylate cyclase | / | 0.442 | |
| 2cdz | 23D | Serine/threonine-protein kinase PAK 4 | 2.7.11.1 | 0.442 | |
| 2qhm | 7CS | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.442 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.442 | |
| 3upf | 0BU | Polyprotein | / | 0.442 | |
| 3w0i | O11 | Vitamin D3 receptor | / | 0.442 | |
| 4s32 | ANP | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.442 | |
| 5iua | 6DX | Adenosine receptor A2a | / | 0.442 | |
| 1mru | AGS | Serine/threonine-protein kinase PknB | 2.7.11.1 | 0.441 | |
| 1rkg | VD1 | Vitamin D3 receptor | / | 0.441 | |
| 1vru | AAP | Gag-Pol polyprotein | 2.7.7.49 | 0.441 | |
| 2o4j | VD4 | Vitamin D3 receptor | / | 0.441 | |
| 2xpv | MIY | Tetracycline repressor protein class D | / | 0.441 | |
| 3mdm | FJZ | Cholesterol 24-hydroxylase | / | 0.441 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 3oib | FDA | Putative acyl-CoA dehydrogenase | / | 0.441 | |
| 3qaq | QAQ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
| 4kxl | 6C6 | 2'-deoxynucleoside 5'-phosphate N-hydrolase 1 | / | 0.441 | |
| 4l45 | 5FI | Ribosomal protein S6 kinase beta-1 | 2.7.11.1 | 0.441 | |
| 4mxo | DB8 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.441 | |
| 4xgx | ADP | FAD:protein FMN transferase | / | 0.441 | |
| 5amn | DTQ | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.441 | |
| 1a9x | ADP | Carbamoyl-phosphate synthase large chain | / | 0.440 | |
| 1g3l | TRH | Glucose-1-phosphate thymidylyltransferase | / | 0.440 | |
| 1r9o | FLP | Cytochrome P450 2C9 | / | 0.440 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.440 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 | |
| 2a4z | BYM | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.440 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 3a8t | ATP | Adenylate isopentenyltransferase | / | 0.440 | |
| 3ics | COA | Coenzyme A disulfide reductase | / | 0.440 | |
| 3q5i | ANP | Protein kinase, putative | / | 0.440 | |
| 4dfl | 0K0 | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.440 | |
| 4i8q | NAD | Putative betaine aldehyde dehyrogenase | / | 0.440 |