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 |
|---|---|---|---|
| 4dsc | A8S | Abscisic acid receptor PYL3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4dsc | A8S | Abscisic acid receptor PYL3 | / | 1.000 | |
| 4dsb | A8S | Abscisic acid receptor PYL3 | / | 0.585 | |
| 3njo | P2M | Abscisic acid receptor PYR1 | / | 0.560 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.557 | |
| 3nj0 | PYV | Abscisic acid receptor PYL2 | / | 0.553 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.541 | |
| 3ns2 | PYV | Abscisic acid receptor PYL2 | / | 0.534 | |
| 4jda | A9S | Abscisic acid receptor PYL3 | / | 0.514 | |
| 3nmh | PYV | Abscisic acid receptor PYL2 | / | 0.507 | |
| 3ujl | A8S | Abscisic acid receptor PYL2 | / | 0.506 | |
| 3r6p | A8S | Abscisic acid receptor PYL10 | / | 0.505 | |
| 3oqu | A8S | Abscisic acid receptor PYL9 | / | 0.491 | |
| 1og5 | SWF | Cytochrome P450 2C9 | / | 0.488 | |
| 3l70 | JZV | Cytochrome b | / | 0.485 | |
| 1ot7 | CHC | Bile acid receptor | / | 0.470 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.465 | |
| 3sl6 | JN8 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.465 | |
| 3kdi | A8S | Abscisic acid receptor PYL2 | / | 0.464 | |
| 4fjz | 4FJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.464 | |
| 5k2c | ZMA | Adenosine receptor A2a | / | 0.464 | |
| 3h1j | SMA | Cytochrome b | / | 0.462 | |
| 2qd5 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.461 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.460 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.460 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.459 | |
| 4equ | G6I | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.459 | |
| 1osv | CHC | Bile acid receptor | / | 0.458 | |
| 1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.458 | |
| 2bxo | OPB | Serum albumin | / | 0.457 | |
| 3irn | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.457 | |
| 3zsh | 469 | Mitogen-activated protein kinase 14 | / | 0.457 | |
| 3kb0 | A8S | Abscisic acid receptor PYL2 | / | 0.456 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 4geb | 0LD | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.456 | |
| 5k2a | ZMA | Adenosine receptor A2a | / | 0.456 | |
| 1fdw | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.455 | |
| 1oyn | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
| 3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.455 | |
| 4bb5 | HD2 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.455 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.455 | |
| 4c1i | EH9 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.453 | |
| 3vtb | TKA | Vitamin D3 receptor | / | 0.452 | |
| 4llk | MEW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.452 | |
| 1s19 | MC9 | Vitamin D3 receptor | / | 0.451 | |
| 3bfb | 9OD | Pheromone-binding protein ASP1 | / | 0.451 | |
| 3w9r | A8S | Abscisic acid receptor PYL9 | / | 0.451 | |
| 4ia1 | BIV | Vitamin D3 receptor A | / | 0.451 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.451 | |
| 1rk3 | VDX | Vitamin D3 receptor | / | 0.450 | |
| 2ydo | ADN | Adenosine receptor A2a | / | 0.450 | |
| 4muw | 2F4 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.450 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.450 | |
| 1fp1 | HCC | Isoliquiritigenin 2'-O-methyltransferase | / | 0.449 | |
| 2wey | EV1 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.449 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.449 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 4ajw | VWN | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2.7.1.153 | 0.449 | |
| 2e98 | B29 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.448 | |
| 4jv8 | 1M1 | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.448 | |
| 4uhr | NGI | Adenosine receptor A2a | / | 0.448 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.448 | |
| 1l2j | ETC | Estrogen receptor beta | / | 0.447 | |
| 2imk | GTX | AGAP009194-PA | / | 0.447 | |
| 4g1z | 0VP | Vitamin D3 receptor A | / | 0.447 | |
| 4nc3 | ERM | 5-hydroxytryptamine receptor 2B | / | 0.447 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.447 | |
| 3itu | IBM | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.446 | |
| 3kb3 | A8S | Abscisic acid receptor PYL2 | / | 0.446 | |
| 3qly | 55V | Uncharacterized protein | / | 0.446 | |
| 1zga | HMK | Isoflavone 4'-O-methyltransferase | / | 0.445 | |
| 2b00 | GCH | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.445 | |
| 3anm | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.445 | |
| 3irm | 1CY | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.445 | |
| 4klr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.445 | |
| 4oic | A8S | Bet v I allergen-like | / | 0.445 | |
| 1sr7 | MOF | Progesterone receptor | / | 0.444 | |
| 1uqt | U2F | Trehalose-6-phosphate synthase | 2.4.1.15 | 0.444 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 2ydv | NEC | Adenosine receptor A2a | / | 0.444 | |
| 2zlc | VDX | Vitamin D3 receptor | / | 0.444 | |
| 4flh | 14K | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 3uzc | T4E | Adenosine receptor A2a | / | 0.444 | |
| 1txi | TX5 | Vitamin D3 receptor | / | 0.443 | |
| 3oji | PYV | Abscisic acid receptor PYL3 | / | 0.443 | |
| 3qlh | T27 | Gag-Pol polyprotein | 2.7.7.49 | 0.443 | |
| 3sgv | 2BJ | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.443 | |
| 4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.443 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.443 | |
| 4jvf | 17X | Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | / | 0.443 | |
| 2i0e | PDS | Protein kinase C beta type | 2.7.11.13 | 0.442 | |
| 2j3k | NAP | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.442 | |
| 2yiu | SMA | Cytochrome b | / | 0.442 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.442 | |
| 3vru | YS3 | Vitamin D3 receptor | / | 0.442 | |
| 3zvu | A8S | Abscisic acid receptor PYR1 | / | 0.442 | |
| 1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 2bel | CBO | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.441 | |
| 3h0s | B38 | Acetyl-CoA carboxylase | / | 0.441 | |
| 3hcr | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.441 | |
| 3tvx | PNX | cAMP-specific 3',5'-cyclic phosphodiesterase 4A | 3.1.4.53 | 0.441 | |
| 3vt9 | YI4 | Vitamin D3 receptor | / | 0.441 | |
| 5k2d | ZMA | Adenosine receptor A2a | / | 0.441 | |
| 1xu7 | CPS | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 | |
| 2oci | TYC | Valacyclovir hydrolase | 3.1 | 0.440 | |
| 3cse | N22 | Uncharacterized protein | / | 0.440 | |
| 3czr | 3CZ | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.440 | |
| 3vrv | YSD | Vitamin D3 receptor | / | 0.440 | |
| 4ddl | 0JQ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 | |
| 4j6c | STR | Cytochrome P450 monooxygenase | / | 0.440 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.440 | |
| 5jtb | ZMA | Adenosine receptor A2a | / | 0.440 |