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 |
|---|---|---|---|
| 1w35 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1w35 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 1.000 | |
| 1bx1 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.638 | |
| 1gjr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.630 | |
| 3vo2 | FAD | Ferredoxin--NADP reductase | / | 0.623 | |
| 4af7 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.619 | |
| 3mhp | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.616 | |
| 1fnb | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.615 | |
| 3zbt | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.615 | |
| 1gr1 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.608 | |
| 4af6 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.604 | |
| 1gaw | FAD | Ferredoxin | / | 0.602 | |
| 3zc3 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.602 | |
| 1h42 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.599 | |
| 1sm4 | FAD | Ferredoxin--NADP reductase | / | 0.598 | |
| 1w87 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.591 | |
| 1e62 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.590 | |
| 4c43 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.585 | |
| 1fnc | FDA | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.579 | |
| 1gaq | FAD | Ferredoxin | / | 0.579 | |
| 2b5o | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.578 | |
| 3w5u | FAD | Ferredoxin | / | 0.578 | |
| 2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.574 | |
| 1e64 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.569 | |
| 1e63 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.568 | |
| 1que | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.568 | |
| 3fpk | FAD | Ferredoxin-NADP reductase | / | 0.567 | |
| 1qgy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.565 | |
| 1fnd | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.564 | |
| 2ok8 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.564 | |
| 3qfs | FAD | NADPH--cytochrome P450 reductase | / | 0.564 | |
| 4bpr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.562 | |
| 4yao | FAD | NADPH--cytochrome P450 reductase | / | 0.559 | |
| 1bjk | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.552 | |
| 1go2 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.546 | |
| 1bx0 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.544 | |
| 1h85 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.544 | |
| 3qfc | FAD | NADPH--cytochrome P450 reductase | / | 0.542 | |
| 3jqr | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.537 | |
| 1qgz | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.530 | |
| 1qh0 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.526 | |
| 3qft | FAD | NADPH--cytochrome P450 reductase | / | 0.525 | |
| 1amo | FAD | NADPH--cytochrome P450 reductase | / | 0.520 | |
| 1ogj | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.500 | |
| 2rc5 | FAD | Ferredoxin--NADP reductase | / | 0.496 | |
| 4uaj | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.492 | |
| 1b2r | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.485 | |
| 1ogi | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.482 | |
| 2ok7 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.482 | |
| 1fdr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.481 | |
| 4fk8 | FAD | Ferredoxin--NADP reductase | / | 0.480 | |
| 1a8p | FAD | Ferredoxin--NADP reductase | / | 0.479 | |
| 1j9z | FAD | NADPH--cytochrome P450 reductase | / | 0.479 | |
| 1ja0 | FAD | NADPH--cytochrome P450 reductase | / | 0.479 | |
| 3opx | U5P | Suppressor of disruption of TFIIS | / | 0.478 | |
| 4a32 | 2CD | Glycylpeptide N-tetradecanoyltransferase | / | 0.478 | |
| 1f20 | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.474 | |
| 5dp2 | NAP | CurF | / | 0.474 | |
| 2vnk | FAD | NADPH:ferredoxin reductase | / | 0.472 | |
| 1tll | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.470 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.470 | |
| 2r6h | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.468 | |
| 3ojx | FAD | NADPH--cytochrome P450 reductase | / | 0.468 | |
| 2cnd | FAD | Nitrate reductase [NADH] | 1.7.1.1 | 0.467 | |
| 1krh | FAD | Benzoate 1,2-dioxygenase electron transfer component | 1.18.1.3 | 0.464 | |
| 4fl0 | PLP | Aminotransferase ALD1, chloroplastic | 2.6.1 | 0.464 | |
| 2vyq | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.462 | |
| 2e9a | B28 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.461 | |
| 2w6z | L21 | Biotin carboxylase | 6.3.4.14 | 0.461 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.460 | |
| 4k1x | FAD | NADPH:ferredoxin reductase | / | 0.460 | |
| 2xnc | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.458 | |
| 1ib0 | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.457 | |
| 1qoq | IGP | Tryptophan synthase alpha chain | / | 0.457 | |
| 4a30 | QMI | Glycylpeptide N-tetradecanoyltransferase | / | 0.457 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.456 | |
| 1ndh | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.455 | |
| 2hk9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.455 | |
| 5c6c | CMP | cGMP-dependent protein kinase 2 | 2.7.11.12 | 0.455 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.453 | |
| 2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.453 | |
| 5ah5 | LSS | Leucine--tRNA ligase | / | 0.453 | |
| 1i7p | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.452 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.452 | |
| 2i65 | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.452 | |
| 2pid | YSA | Tyrosine--tRNA ligase, mitochondrial | 6.1.1.1 | 0.451 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.451 | |
| 3bus | SAH | Demethylrebeccamycin-D-glucose O-methyltransferase | / | 0.451 | |
| 1bsv | NDP | GDP-L-fucose synthase | / | 0.450 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.450 | |
| 2zev | B71 | Geranylgeranyl pyrophosphate synthase | / | 0.450 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.450 | |
| 4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.450 | |
| 1knp | FAD | L-aspartate oxidase | 1.4.3.16 | 0.449 | |
| 2wsa | 646 | Glycylpeptide N-tetradecanoyltransferase | / | 0.449 | |
| 3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.449 | |
| 4aoa | IK2 | Beta-phenylalanine transaminase | 2.6.1 | 0.449 | |
| 4brd | ANP | Ectonucleoside triphosphate diphosphohydrolase I | / | 0.449 | |
| 1q0z | AKA | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.448 | |
| 2aou | CQA | Histamine N-methyltransferase | 2.1.1.8 | 0.448 | |
| 2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.448 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.448 | |
| 1kzu | RG1 | Light-harvesting protein B-800/850 alpha chain | / | 0.447 | |
| 1kzu | RG1 | Light-harvesting protein B-800/850 beta chain | / | 0.447 | |
| 2vnj | FAD | NADPH:ferredoxin reductase | / | 0.447 | |
| 3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 3iqh | TYR_ASP_ILE | Cysteine synthase | 2.5.1.47 | 0.447 | |
| 3p0f | BAU | Uridine phosphorylase 2 | 2.4.2.3 | 0.447 | |
| 4gg1 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.447 | |
| 4l6g | CNL | 1,8-cineole 2-endo-monooxygenase | 1.14.13.156 | 0.447 | |
| 4n3l | 2FN | Prothrombin | 3.4.21.5 | 0.447 | |
| 1z71 | L17 | Prothrombin | 3.4.21.5 | 0.446 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.446 | |
| 3ojx | FMN | NADPH--cytochrome P450 reductase | / | 0.446 | |
| 1xs7 | MMI | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.445 | |
| 4c72 | TLG | 3-oxoacyl-ACP synthase | / | 0.445 | |
| 4eag | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.445 | |
| 4mdh | NAD | Malate dehydrogenase, cytoplasmic | 1.1.1.37 | 0.445 | |
| 4cax | 646 | Glycylpeptide N-tetradecanoyltransferase | 2.3.1.97 | 0.444 | |
| 4wx2 | F6F | Tryptophan synthase alpha chain | / | 0.444 | |
| 4wx2 | F6F | Tryptophan synthase beta chain | 4.2.1.20 | 0.444 | |
| 2gna | GDU | UDP-N-acetylglucosamine 4,6-dehydratase (inverting) | 4.2.1.115 | 0.443 | |
| 3kru | FMN | NADH:flavin oxidoreductase/NADH oxidase | / | 0.443 | |
| 3rtn | RTN | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.443 | |
| 4n82 | FMN | Ribonucleotide reductase (NrdI family protein), putative | / | 0.443 | |
| 2e7r | SAH | Diphthine synthase | / | 0.442 | |
| 2g24 | 7IG | Renin | 3.4.23.15 | 0.442 | |
| 2ji9 | ADP | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.442 | |
| 2wu4 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 4g2l | 0WL | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 4gtp | 7TP | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.442 | |
| 4r81 | FMN | Predicted NADH dehydrogenase | / | 0.442 | |
| 4v2g | ITC | Tetracycline repressor protein class D | / | 0.442 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.441 | |
| 2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.441 | |
| 2bgi | FAD | NADPH:ferredoxin reductase | / | 0.441 | |
| 2c12 | FAD | Nitroalkane oxidase | 1.7.3.1 | 0.441 | |
| 2ejz | SAH | Diphthine synthase | / | 0.441 | |
| 2npi | ATP | mRNA cleavage and polyadenylation factor CLP1 | / | 0.441 | |
| 3cso | XNI | Genome polyprotein | 2.7.7.48 | 0.441 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
| 3tky | N7I | (Iso)eugenol O-methyltransferase | 2.1.1.146 | 0.441 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.441 | |
| 4c73 | TLH | 3-oxoacyl-ACP synthase | / | 0.441 | |
| 2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.440 | |
| 2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.440 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4q0k | GA3 | Phytohormone-binding protein | / | 0.440 |