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 |
|---|---|---|---|
| 4yao | 2AM | NADPH--cytochrome P450 reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4yao | 2AM | NADPH--cytochrome P450 reductase | / | 1.000 | |
| 4y9u | NAP | NADPH--cytochrome P450 reductase | / | 0.607 | |
| 4yaw | 2AM | NADPH--cytochrome P450 reductase | / | 0.597 | |
| 4yau | 2AM | NADPH--cytochrome P450 reductase | / | 0.588 | |
| 4y9r | NAP | NADPH--cytochrome P450 reductase | / | 0.584 | |
| 4yal | 2AM | NADPH--cytochrome P450 reductase | / | 0.580 | |
| 4y7c | NAP | NADPH--cytochrome P450 reductase | / | 0.568 | |
| 4yaf | 2AM | NADPH--cytochrome P450 reductase | / | 0.551 | |
| 1amo | NAP | NADPH--cytochrome P450 reductase | / | 0.548 | |
| 3qfs | NAP | NADPH--cytochrome P450 reductase | / | 0.530 | |
| 3qfc | NAP | NADPH--cytochrome P450 reductase | / | 0.507 | |
| 3qfr | NAP | NADPH--cytochrome P450 reductase | / | 0.504 | |
| 2bpo | NAP | NADPH--cytochrome P450 reductase | / | 0.492 | |
| 3qe2 | NAP | NADPH--cytochrome P450 reductase | / | 0.489 | |
| 2bf4 | NAP | NADPH--cytochrome P450 reductase | / | 0.485 | |
| 1ja1 | NAP | NADPH--cytochrome P450 reductase | / | 0.477 | |
| 3m30 | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.468 | |
| 3m30 | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.468 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.467 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.465 | |
| 2j2p | SC2 | Ficolin-2 | / | 0.461 | |
| 1tll | NAP | Nitric oxide synthase, brain | 1.14.13.39 | 0.460 | |
| 1je1 | GMP | Purine nucleoside phosphorylase | / | 0.458 | |
| 1vbm | YSA | Tyrosine--tRNA ligase | 6.1.1.1 | 0.457 | |
| 4x7z | ZM3 | Mycinamicin III 3''-O-methyltransferase | 2.1.1.237 | 0.457 | |
| 3m2u | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.453 | |
| 3to3 | ATP | Petrobactin biosynthesis protein AsbB | / | 0.452 | |
| 4ocp | ADP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.451 | |
| 2cy0 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.450 | |
| 4dan | 2FA | Purine nucleoside phosphorylase DeoD-type | 2.4.2.1 | 0.450 | |
| 2ed3 | SAH | Diphthine synthase | / | 0.449 | |
| 4kp6 | 1S1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.449 | |
| 1m8j | NAD | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 0.448 | |
| 2oxn | OAN | Beta-hexosaminidase | / | 0.448 | |
| 3lm8 | VIB | Thiamine pyrophosphokinase | 2.7.6.2 | 0.448 | |
| 1y2b | DEE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 3rba | COD | Phosphopantetheine adenylyltransferase | / | 0.446 | |
| 3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.445 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
| 4j7h | TRH | PCZA361.3 | / | 0.443 | |
| 4x81 | MVI | Mycinamicin III 3''-O-methyltransferase | 2.1.1.237 | 0.443 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.442 | |
| 1jra | FAD | FAD-linked sulfhydryl oxidase ERV2 | 1.8.3.2 | 0.441 | |
| 2bn4 | NAP | NADPH--cytochrome P450 reductase | / | 0.441 | |
| 2wjo | QUD | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 3ozd | 4CT | S-methyl-5'-thioadenosine phosphorylase | / | 0.441 | |
| 2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.440 | |
| 3jyq | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.440 |