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 |
|---|---|---|---|
| 1qgy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1qgy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 1.000 | |
| 1h85 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.860 | |
| 1qh0 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.821 | |
| 1go2 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.806 | |
| 1b2r | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.805 | |
| 1e64 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.796 | |
| 1bjk | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.728 | |
| 4c43 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.668 | |
| 3zbt | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.636 | |
| 2b5o | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.625 | |
| 1gjr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.624 | |
| 3w5u | FAD | Ferredoxin | / | 0.624 | |
| 4af7 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.621 | |
| 4bpr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.619 | |
| 1qgz | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.617 | |
| 1e63 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.614 | |
| 3zc3 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.611 | |
| 1bx1 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.606 | |
| 1fnc | FDA | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.605 | |
| 1fnb | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.603 | |
| 1sm4 | FAD | Ferredoxin--NADP reductase | / | 0.601 | |
| 4af6 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.597 | |
| 3mhp | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.590 | |
| 3vo2 | FAD | Ferredoxin--NADP reductase | / | 0.590 | |
| 1w87 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.586 | |
| 1ewy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.580 | |
| 1que | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.578 | |
| 2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.565 | |
| 3qfs | FAD | NADPH--cytochrome P450 reductase | / | 0.565 | |
| 1e62 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.560 | |
| 1w35 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.560 | |
| 1ogi | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.559 | |
| 1gaq | FAD | Ferredoxin | / | 0.554 | |
| 1gaw | FAD | Ferredoxin | / | 0.554 | |
| 1amo | FAD | NADPH--cytochrome P450 reductase | / | 0.547 | |
| 1ogj | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.546 | |
| 1fnd | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.544 | |
| 1h42 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.543 | |
| 1ja1 | FAD | NADPH--cytochrome P450 reductase | / | 0.537 | |
| 4yao | FAD | NADPH--cytochrome P450 reductase | / | 0.529 | |
| 1gr1 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.526 | |
| 3fpk | FAD | Ferredoxin-NADP reductase | / | 0.524 | |
| 2ok8 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.515 | |
| 2rc5 | FAD | Ferredoxin--NADP reductase | / | 0.514 | |
| 2xnc | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.514 | |
| 3qft | FAD | NADPH--cytochrome P450 reductase | / | 0.512 | |
| 1bx0 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.494 | |
| 1j9z | FAD | NADPH--cytochrome P450 reductase | / | 0.488 | |
| 1cqx | FAD | Flavohemoprotein | / | 0.487 | |
| 4a32 | 2CD | Glycylpeptide N-tetradecanoyltransferase | / | 0.484 | |
| 4uaj | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.480 | |
| 5ah5 | LSS | Leucine--tRNA ligase | / | 0.480 | |
| 5c6c | CMP | cGMP-dependent protein kinase 2 | 2.7.11.12 | 0.478 | |
| 1krh | FAD | Benzoate 1,2-dioxygenase electron transfer component | 1.18.1.3 | 0.476 | |
| 2bpo | FAD | NADPH--cytochrome P450 reductase | / | 0.473 | |
| 3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.470 | |
| 4fk8 | FAD | Ferredoxin--NADP reductase | / | 0.469 | |
| 1f20 | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.467 | |
| 3qfc | FAD | NADPH--cytochrome P450 reductase | / | 0.466 | |
| 2v1a | FMN | NPH1-1 | / | 0.465 | |
| 3vt7 | VDX | Vitamin D3 receptor | / | 0.464 | |
| 2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.463 | |
| 2bgi | FAD | NADPH:ferredoxin reductase | / | 0.461 | |
| 1a8p | FAD | Ferredoxin--NADP reductase | / | 0.459 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.459 | |
| 3br3 | ET | HTH-type transcriptional regulator QacR | / | 0.459 | |
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 2vf3 | GVS | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.457 | |
| 3fsj | D7K | Benzoylformate decarboxylase | 4.1.1.7 | 0.457 | |
| 3jqr | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.457 | |
| 2e9a | B28 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.456 | |
| 4kfq | KFQ | Glutamate receptor ionotropic, NMDA 1 | / | 0.456 | |
| 4mv1 | ADP | Biotin carboxylase | 6.3.4.14 | 0.454 | |
| 1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.452 | |
| 3e6e | DCS | Alanine racemase | / | 0.452 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.452 | |
| 4gv2 | 5ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.452 | |
| 1fdr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.451 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.451 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.450 | |
| 1u2r | SO1 | Elongation factor 2 | / | 0.449 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.449 | |
| 3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.449 | |
| 5a4w | QCT | Glutathione S-transferase F2 | 2.5.1.18 | 0.449 | |
| 2ejz | SAH | Diphthine synthase | / | 0.447 | |
| 2wp9 | CBE | Succinate dehydrogenase iron-sulfur subunit | 1.3.5.1 | 0.447 | |
| 2wp9 | CBE | Succinate dehydrogenase cytochrome b556 subunit | / | 0.447 | |
| 4b4d | FAD | Ferredoxin-NADP reductase | / | 0.447 | |
| 4gv0 | 8ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.447 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.446 | |
| 2qdx | FAD | Ferredoxin--NADP+ reductase | / | 0.446 | |
| 1aqu | EST | Estrogen sulfotransferase, testis isoform | 2.8.2.4 | 0.445 | |
| 1hzz | NAP | NAD(P) transhydrogenase subunit beta | 1.6.1.2 | 0.445 | |
| 3nrr | D16 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.445 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.445 | |
| 1ae8 | AZL | Prothrombin | 3.4.21.5 | 0.444 | |
| 1q4w | DQU | Queuine tRNA-ribosyltransferase | 2.4.2.29 | 0.444 | |
| 2vnk | FAD | NADPH:ferredoxin reductase | / | 0.444 | |
| 4fse | 0VA | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 1q0r | AKT | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.443 | |
| 3p0f | BAU | Uridine phosphorylase 2 | 2.4.2.3 | 0.443 | |
| 3vf6 | 0H6 | Glucokinase | 2.7.1.2 | 0.443 | |
| 4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 1g28 | FMN | PHY3 | / | 0.442 | |
| 2uag | UMA | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.442 | |
| 2uuo | LK3 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.442 | |
| 2zu9 | GDP | Mannosyl-3-phosphoglycerate synthase | 2.4.1.217 | 0.442 | |
| 4a30 | QMI | Glycylpeptide N-tetradecanoyltransferase | / | 0.442 | |
| 4e32 | DWN | Methyltransferase | / | 0.442 | |
| 1lnm | DTX | Bilin-binding protein | / | 0.441 | |
| 2owf | SAH | Diphthine synthase | / | 0.441 | |
| 3faz | NOS | Purine nucleoside phosphorylase | / | 0.441 | |
| 4ead | 0NP | Thymidine phosphorylase | 2.4.2.4 | 0.441 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.441 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.440 | |
| 2gev | COK | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 2pk3 | GDD | GDP-6-deoxy-D-mannose reductase | / | 0.440 | |
| 2vnh | FAD | NADPH:ferredoxin reductase | / | 0.440 | |
| 3fr5 | I4A | Fatty acid-binding protein, adipocyte | / | 0.440 | |
| 4b68 | FAD | L-ornithine N(5)-monooxygenase | / | 0.440 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.440 | |
| 4rh1 | 0TT | Spore photoproduct lyase | / | 0.440 |