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 |
|---|---|---|---|
| 3qft | FAD | NADPH--cytochrome P450 reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3qft | FAD | NADPH--cytochrome P450 reductase | / | 1.000 | |
| 3qfs | FAD | NADPH--cytochrome P450 reductase | / | 0.592 | |
| 1amo | FAD | NADPH--cytochrome P450 reductase | / | 0.555 | |
| 1ja1 | FAD | NADPH--cytochrome P450 reductase | / | 0.538 | |
| 1w35 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.538 | |
| 4y9r | FAD | NADPH--cytochrome P450 reductase | / | 0.536 | |
| 4yao | FAD | NADPH--cytochrome P450 reductase | / | 0.535 | |
| 3mhp | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.525 | |
| 3w5u | FAD | Ferredoxin | / | 0.519 | |
| 3zc3 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.515 | |
| 1sm4 | FAD | Ferredoxin--NADP reductase | / | 0.509 | |
| 1j9z | FAD | NADPH--cytochrome P450 reductase | / | 0.508 | |
| 1gaw | FAD | Ferredoxin | / | 0.507 | |
| 4af6 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.507 | |
| 4af7 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.507 | |
| 4c43 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.507 | |
| 1fnb | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.506 | |
| 1w87 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.503 | |
| 3vo2 | FAD | Ferredoxin--NADP reductase | / | 0.503 | |
| 1gjr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.497 | |
| 1h85 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.494 | |
| 1rkw | PNT | HTH-type transcriptional regulator QacR | / | 0.494 | |
| 1e63 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.493 | |
| 1qh0 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.490 | |
| 3ojx | FAD | NADPH--cytochrome P450 reductase | / | 0.490 | |
| 1go2 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.487 | |
| 3fpk | FAD | Ferredoxin-NADP reductase | / | 0.487 | |
| 1que | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.485 | |
| 1bjk | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.482 | |
| 1fnc | FDA | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.482 | |
| 1qgy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.482 | |
| 2b5o | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.482 | |
| 1h42 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.481 | |
| 2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.481 | |
| 2gev | COK | Pantothenate kinase | 2.7.1.33 | 0.480 | |
| 1gaq | FAD | Ferredoxin | / | 0.479 | |
| 4uaj | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.479 | |
| 1bx1 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.478 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.477 | |
| 1po7 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.476 | |
| 1fnd | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.471 | |
| 3zbt | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.469 | |
| 2ok8 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.466 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.465 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.464 | |
| 3m1v | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.464 | |
| 4gm4 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.463 | |
| 2xnc | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.459 | |
| 1qgz | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.458 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.458 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.458 | |
| 1e64 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.457 | |
| 2gby | BRN | HTH-type transcriptional regulator QacR | / | 0.455 | |
| 3jun | AJD | Phenazine biosynthesis protein A/B | / | 0.455 | |
| 2bgi | FAD | NADPH:ferredoxin reductase | / | 0.454 | |
| 2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.454 | |
| 4xsv | C5P | Ethanolamine-phosphate cytidylyltransferase | 2.7.7.14 | 0.454 | |
| 1gr1 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.453 | |
| 1mcz | RMN | Benzoylformate decarboxylase | 4.1.1.7 | 0.453 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.453 | |
| 1fdr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.452 | |
| 1krh | FAD | Benzoate 1,2-dioxygenase electron transfer component | 1.18.1.3 | 0.452 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.452 | |
| 1b2r | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.451 | |
| 2rc5 | FAD | Ferredoxin--NADP reductase | / | 0.451 | |
| 3fhx | PLP | Pyridoxal kinase | 2.7.1.35 | 0.451 | |
| 3h3s | H15 | Collagen type IV alpha-3-binding protein | / | 0.451 | |
| 1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 3ivc | FG4 | Pantothenate synthetase | 6.3.2.1 | 0.450 | |
| 4j7g | TRH | PCZA361.3 | / | 0.449 | |
| 1toi | HCI | Aspartate aminotransferase | 2.6.1.1 | 0.448 | |
| 3djj | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.448 | |
| 3faz | NOS | Purine nucleoside phosphorylase | / | 0.448 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.448 | |
| 1a8p | FAD | Ferredoxin--NADP reductase | / | 0.447 | |
| 1f20 | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.447 | |
| 1yw8 | A75 | Methionine aminopeptidase 2 | / | 0.447 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.446 | |
| 1ogi | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.445 | |
| 3dyn | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.445 | |
| 2j3q | TFL | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 4xo7 | NAP | Aldo-keto reductase family 1 member C2 | / | 0.444 | |
| 2vnj | FAD | NADPH:ferredoxin reductase | / | 0.443 | |
| 3tne | RIT | Candidapepsin-1 | 3.4.23.24 | 0.443 | |
| 3w5h | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.443 | |
| 4b12 | C23 | Glycylpeptide N-tetradecanoyltransferase | / | 0.443 | |
| 4lu3 | AZM | Carbonic anhydrase 14 | 4.2.1.1 | 0.443 | |
| 5e5h | 0T1 | Succinyl-CoA:acetate CoA-transferase | / | 0.443 | |
| 1ogj | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.442 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.442 | |
| 2a9y | 26A | Adenosine kinase | 2.7.1.20 | 0.442 | |
| 3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.442 | |
| 3qgf | 46F | Genome polyprotein | 2.7.7.48 | 0.442 | |
| 4b7z | Q4Q | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 3ny9 | JSZ | Beta-2 adrenergic receptor | / | 0.442 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.441 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.441 | |
| 2jkv | NAP | 6-phosphogluconate dehydrogenase, decarboxylating | 1.1.1.44 | 0.441 | |
| 3jsi | WTC | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 1kyv | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.440 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.440 | |
| 2pk3 | A2R | GDP-6-deoxy-D-mannose reductase | / | 0.440 | |
| 3e4v | FMN | Uncharacterized protein | / | 0.440 | |
| 5hvn | NAD | 3-dehydroquinate synthase | / | 0.440 |