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 |
|---|---|---|---|
| 1fnb | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1fnb | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 1.000 | |
| 1bx1 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.825 | |
| 4af7 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.690 | |
| 1bx0 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.671 | |
| 1gaw | FAD | Ferredoxin | / | 0.632 | |
| 3vo2 | FAD | Ferredoxin--NADP reductase | / | 0.630 | |
| 1gaq | FAD | Ferredoxin | / | 0.614 | |
| 3mhp | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.606 | |
| 1fnc | FDA | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.604 | |
| 3zc3 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.602 | |
| 1gjr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.594 | |
| 1sm4 | FAD | Ferredoxin--NADP reductase | / | 0.588 | |
| 4c43 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.588 | |
| 1fnd | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.582 | |
| 2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.581 | |
| 1w35 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.578 | |
| 1e64 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.574 | |
| 1go2 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.572 | |
| 1qgy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.572 | |
| 1h85 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.571 | |
| 3w5u | FAD | Ferredoxin | / | 0.569 | |
| 4af6 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.569 | |
| 1qh0 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.564 | |
| 4bpr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.554 | |
| 2b5o | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.549 | |
| 1h42 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.548 | |
| 1que | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.547 | |
| 1bjk | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.544 | |
| 4yao | FAD | NADPH--cytochrome P450 reductase | / | 0.538 | |
| 3zbt | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.537 | |
| 1ogi | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.533 | |
| 1gr1 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.532 | |
| 2ok8 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.530 | |
| 1ogj | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.528 | |
| 1j9z | FAD | NADPH--cytochrome P450 reductase | / | 0.520 | |
| 3jqr | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.520 | |
| 1ja1 | FAD | NADPH--cytochrome P450 reductase | / | 0.515 | |
| 3fpk | FAD | Ferredoxin-NADP reductase | / | 0.511 | |
| 1b2r | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.508 | |
| 1w87 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.506 | |
| 1amo | FAD | NADPH--cytochrome P450 reductase | / | 0.502 | |
| 4uaj | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.502 | |
| 3qft | FAD | NADPH--cytochrome P450 reductase | / | 0.498 | |
| 1e63 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.495 | |
| 1e62 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.494 | |
| 2rc5 | FAD | Ferredoxin--NADP reductase | / | 0.492 | |
| 2vnj | FAD | NADPH:ferredoxin reductase | / | 0.491 | |
| 3qfs | FAD | NADPH--cytochrome P450 reductase | / | 0.488 | |
| 1qgz | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.483 | |
| 2r6h | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.480 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.476 | |
| 4a32 | 2CD | Glycylpeptide N-tetradecanoyltransferase | / | 0.476 | |
| 1x27 | ASP_ASP_TYR_VAL_PTR | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.474 | |
| 2xnc | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.472 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.469 | |
| 5dp2 | NAP | CurF | / | 0.469 | |
| 2zz0 | FAD | Thioredoxin reductase 1, cytoplasmic | 1.8.1.9 | 0.468 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.467 | |
| 2vnk | FAD | NADPH:ferredoxin reductase | / | 0.466 | |
| 1a8p | FAD | Ferredoxin--NADP reductase | / | 0.465 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.465 | |
| 3ojx | FAD | NADPH--cytochrome P450 reductase | / | 0.464 | |
| 1tll | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.460 | |
| 3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.460 | |
| 3caq | NDP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.459 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.459 | |
| 2vn1 | FK5 | Peptidylprolyl isomerase | / | 0.458 | |
| 1fdr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.457 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.457 | |
| 3exf | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.457 | |
| 3exf | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.457 | |
| 1z41 | FMN | NADPH dehydrogenase | / | 0.456 | |
| 2ejz | SAH | Diphthine synthase | / | 0.456 | |
| 2ges | COK | Pantothenate kinase | 2.7.1.33 | 0.456 | |
| 1opm | IYG | Peptidyl-glycine alpha-amidating monooxygenase | 1.14.17.3 | 0.454 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.453 | |
| 3c1o | NAP | Eugenol synthase | / | 0.453 | |
| 3qfc | FAD | NADPH--cytochrome P450 reductase | / | 0.453 | |
| 5ah5 | LSS | Leucine--tRNA ligase | / | 0.453 | |
| 1u8v | FAD | 4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase | / | 0.452 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.452 | |
| 3aez | GDP | Pantothenate kinase | 2.7.1.33 | 0.452 | |
| 3frk | TQP | QdtB | / | 0.452 | |
| 3m30 | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.452 | |
| 3m30 | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.452 | |
| 4fse | 0VA | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
| 1nqu | RDL | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.451 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.451 | |
| 4b4d | FAD | Ferredoxin-NADP reductase | / | 0.451 | |
| 2ivn | ANP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.450 | |
| 2pia | FMN | Phthalate dioxygenase reductase | / | 0.450 | |
| 2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.450 | |
| 3bus | SAH | Demethylrebeccamycin-D-glucose O-methyltransferase | / | 0.450 | |
| 1udt | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.447 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.447 | |
| 3m2u | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.446 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.445 | |
| 2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.445 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.445 | |
| 4fk8 | FAD | Ferredoxin--NADP reductase | / | 0.445 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.444 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.443 | |
| 4acx | S8Z | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 2gou | FMN | NADH:flavin oxidoreductase Sye1 | / | 0.442 | |
| 3zht | TD9 | Multifunctional 2-oxoglutarate metabolism enzyme | 1.2.4.2 | 0.442 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.442 | |
| 4z4p | SAH | Histone-lysine N-methyltransferase 2D | 2.1.1.43 | 0.442 | |
| 1bsv | NDP | GDP-L-fucose synthase | / | 0.441 | |
| 1oyc | FMN | NADPH dehydrogenase 1 | 1.6.99.1 | 0.441 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.441 | |
| 4c2z | 646 | Glycylpeptide N-tetradecanoyltransferase 1 | / | 0.441 | |
| 4i10 | 1BS | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 2xlr | FAD | Putative flavin-containing monooxygenase | / | 0.440 | |
| 4cvm | ANP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.440 | |
| 5dld | UD1 | UDP-N-Acetylglucosamine 2-epimerase | / | 0.440 |