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 |
|---|---|---|---|
| 1e63 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1e63 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 1.000 | |
| 1qgz | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.807 | |
| 1e64 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.715 | |
| 1qgy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.683 | |
| 1que | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.675 | |
| 1bjk | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.674 | |
| 1qh0 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.669 | |
| 1e62 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.650 | |
| 1h85 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.645 | |
| 4bpr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.642 | |
| 4c43 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.640 | |
| 1ogi | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.639 | |
| 1h42 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.624 | |
| 1ogj | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.613 | |
| 2b5o | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.611 | |
| 1gr1 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.607 | |
| 3zbt | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.606 | |
| 1gjr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.603 | |
| 1go2 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.597 | |
| 4af7 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.588 | |
| 1b2r | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.584 | |
| 3zc3 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.581 | |
| 1fnc | FDA | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.574 | |
| 1fnd | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.573 | |
| 3vo2 | FAD | Ferredoxin--NADP reductase | / | 0.572 | |
| 1ewy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.566 | |
| 1gaw | FAD | Ferredoxin | / | 0.563 | |
| 1bx1 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.555 | |
| 2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.554 | |
| 4af6 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.554 | |
| 1w35 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.553 | |
| 1sm4 | FAD | Ferredoxin--NADP reductase | / | 0.552 | |
| 3mhp | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.552 | |
| 1fnb | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.549 | |
| 1gaq | FAD | Ferredoxin | / | 0.549 | |
| 1w87 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.541 | |
| 3w5u | FAD | Ferredoxin | / | 0.540 | |
| 1bx0 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.527 | |
| 3qfc | FAD | NADPH--cytochrome P450 reductase | / | 0.525 | |
| 3qft | FAD | NADPH--cytochrome P450 reductase | / | 0.521 | |
| 4uaj | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.519 | |
| 3fpk | FAD | Ferredoxin-NADP reductase | / | 0.514 | |
| 2rc5 | FAD | Ferredoxin--NADP reductase | / | 0.510 | |
| 1amo | FAD | NADPH--cytochrome P450 reductase | / | 0.503 | |
| 1j9z | FAD | NADPH--cytochrome P450 reductase | / | 0.503 | |
| 3qfs | FAD | NADPH--cytochrome P450 reductase | / | 0.502 | |
| 3jqr | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.494 | |
| 4yao | FAD | NADPH--cytochrome P450 reductase | / | 0.494 | |
| 1ja1 | FAD | NADPH--cytochrome P450 reductase | / | 0.483 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.478 | |
| 2xnc | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.475 | |
| 3ojx | FAD | NADPH--cytochrome P450 reductase | / | 0.474 | |
| 4kq6 | DLZ | 6,7-dimethyl-8-ribityllumazine synthase | / | 0.474 | |
| 5ah5 | LSS | Leucine--tRNA ligase | / | 0.470 | |
| 4i10 | 1BS | Beta-secretase 1 | 3.4.23.46 | 0.467 | |
| 4n4w | SNT | Smoothened homolog | / | 0.465 | |
| 1g63 | FMN | Epidermin decarboxylase | 4.1.1 | 0.463 | |
| 4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.463 | |
| 2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.460 | |
| 3ikt | NAD | Redox-sensing transcriptional repressor Rex | / | 0.460 | |
| 3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.460 | |
| 2ok8 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.459 | |
| 4j7h | TRH | PCZA361.3 | / | 0.459 | |
| 5a4v | QUE | Glutathione S-transferase F2 | 2.5.1.18 | 0.459 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.458 | |
| 3zcb | ATP | Adenosine monophosphate-protein transferase VbhT | 2.7.7.n1 | 0.458 | |
| 4z87 | GDP | Inosine-5'-monophosphate dehydrogenase | / | 0.458 | |
| 1cqx | FAD | Flavohemoprotein | / | 0.457 | |
| 5dp2 | NAP | CurF | / | 0.457 | |
| 1gky | 5GP | Guanylate kinase | 2.7.4.8 | 0.456 | |
| 1w19 | T5P | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.456 | |
| 2vd0 | D27 | Hematopoietic prostaglandin D synthase | / | 0.456 | |
| 4mpr | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.456 | |
| 1qoq | IGP | Tryptophan synthase alpha chain | / | 0.455 | |
| 2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.455 | |
| 1f20 | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.454 | |
| 2qe2 | 452 | Polyprotein | / | 0.454 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.454 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.453 | |
| 2ptf | FMN | Uncharacterized protein MTH_863 | / | 0.453 | |
| 3l9m | L9M | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.453 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.453 | |
| 5c6c | CMP | cGMP-dependent protein kinase 2 | 2.7.11.12 | 0.453 | |
| 3b8x | G4M | Putative pyridoxamine 5-phosphate-dependent dehydrase | / | 0.452 | |
| 3er9 | 3AT | Poly(A) polymerase catalytic subunit | 2.7.7.19 | 0.451 | |
| 4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.451 | |
| 1lnm | DTX | Bilin-binding protein | / | 0.450 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.450 | |
| 1x2e | ATX | Proline iminopeptidase | 3.4.11.5 | 0.450 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.450 | |
| 3fzn | D7K | Benzoylformate decarboxylase | 4.1.1.7 | 0.450 | |
| 3i0p | NAD | Malate dehydrogenase, putative | / | 0.450 | |
| 3ivc | FG4 | Pantothenate synthetase | 6.3.2.1 | 0.450 | |
| 3rtn | RTN | Beta-secretase 1 | 3.4.23.46 | 0.450 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.450 | |
| 1p4a | PCP | Pur operon repressor | / | 0.449 | |
| 1fds | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.448 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 2vnj | FAD | NADPH:ferredoxin reductase | / | 0.448 | |
| 3p2o | NAD | Bifunctional protein FolD | / | 0.448 | |
| 3phj | DHK | Shikimate dehydrogenase (NADP(+)) | / | 0.448 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.448 | |
| 4ckr | DI1 | Epithelial discoidin domain-containing receptor 1 | 2.7.10.1 | 0.448 | |
| 4iif | CTS | Beta-glucosidase 1 | 3.2.1.21 | 0.448 | |
| 1aka | PLP | Aspartate aminotransferase, mitochondrial | 2.6.1.1 | 0.447 | |
| 1yc2 | NAD | NAD-dependent protein deacylase 2 | / | 0.447 | |
| 2e9a | B28 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.447 | |
| 4gv0 | 8ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.447 | |
| 1r58 | AO5 | Methionine aminopeptidase 2 | / | 0.446 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.446 | |
| 3bw4 | FMN | Putative 2-nitropropane dioxygenase | / | 0.445 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 4gtp | 7TP | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.445 | |
| 1a8p | FAD | Ferredoxin--NADP reductase | / | 0.444 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.444 | |
| 3rga | ILD | Epoxide hydrolase LasB | 5.5.1 | 0.444 | |
| 2r6h | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.443 | |
| 2zrx | FMN | Isopentenyl-diphosphate delta-isomerase | / | 0.443 | |
| 3c0g | 3AM | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.443 | |
| 4cjx | 9L9 | C-1-tetrahydrofolate synthase, cytoplasmic, putative | / | 0.443 | |
| 3b04 | OOP | Isopentenyl-diphosphate delta-isomerase | / | 0.442 | |
| 3n3a | FMN | Protein NrdI | / | 0.442 | |
| 4j7g | TRH | PCZA361.3 | / | 0.442 | |
| 1yci | NDF | Hypoxia-inducible factor 1-alpha inhibitor | 1.14.11.30 | 0.441 | |
| 2vn1 | FK5 | Peptidylprolyl isomerase | / | 0.441 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 4mrm | 2BY | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.441 | |
| 1c3x | 8IG | Purine nucleoside phosphorylase | 2.4.2.1 | 0.440 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.440 | |
| 3g0y | P9A | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.440 | |
| 3ske | 054 | Genome polyprotein | 2.7.7.48 | 0.440 | |
| 3t4h | MD5 | Alpha-ketoglutarate-dependent dioxygenase AlkB | 1.14.11.33 | 0.440 | |
| 4jt8 | 1NR | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.440 |