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 |
---|---|---|---|
1gr1 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
1gr1 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 1.000 | |
1e62 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.726 | |
1h42 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.717 | |
1ogi | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.706 | |
3zbt | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.689 | |
1que | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.657 | |
1ogj | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.647 | |
1w35 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.645 | |
1e63 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.628 | |
1fnb | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.627 | |
1e64 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.621 | |
1h85 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.613 | |
1qgz | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.611 | |
1qh0 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.609 | |
1bjk | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.604 | |
4c43 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.604 | |
1bx1 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.597 | |
1qgy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.595 | |
3zc3 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.593 | |
1fnc | FDA | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.591 | |
1fnd | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.587 | |
2b5o | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.586 | |
3vo2 | FAD | Ferredoxin--NADP reductase | / | 0.585 | |
4af6 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.585 | |
1go2 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.571 | |
4af7 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.565 | |
1gjr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.564 | |
1bx0 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.556 | |
4bpr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.555 | |
1b2r | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.554 | |
1sm4 | FAD | Ferredoxin--NADP reductase | / | 0.551 | |
2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.551 | |
3jqr | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.547 | |
1gaq | FAD | Ferredoxin | / | 0.543 | |
1gaw | FAD | Ferredoxin | / | 0.543 | |
3w5u | FAD | Ferredoxin | / | 0.543 | |
3mhp | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.538 | |
1w87 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.521 | |
3qft | FAD | NADPH--cytochrome P450 reductase | / | 0.516 | |
2ok8 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.509 | |
3qfs | FAD | NADPH--cytochrome P450 reductase | / | 0.503 | |
3fpk | FAD | Ferredoxin-NADP reductase | / | 0.502 | |
2vnj | FAD | NADPH:ferredoxin reductase | / | 0.491 | |
5ah5 | LSS | Leucine--tRNA ligase | / | 0.486 | |
4yao | FAD | NADPH--cytochrome P450 reductase | / | 0.482 | |
5c6c | CMP | cGMP-dependent protein kinase 2 | 2.7.11.12 | 0.478 | |
1ja1 | FAD | NADPH--cytochrome P450 reductase | / | 0.476 | |
4kq6 | DLZ | 6,7-dimethyl-8-ribityllumazine synthase | / | 0.476 | |
3qfc | FAD | NADPH--cytochrome P450 reductase | / | 0.475 | |
3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.475 | |
4uaj | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.475 | |
1kyv | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.474 | |
1ex7 | 5GP | Guanylate kinase | 2.7.4.8 | 0.471 | |
1amo | FAD | NADPH--cytochrome P450 reductase | / | 0.469 | |
1yw8 | A75 | Methionine aminopeptidase 2 | / | 0.467 | |
2hk9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.467 | |
3er9 | 3AT | Poly(A) polymerase catalytic subunit | 2.7.7.19 | 0.466 | |
1r5h | AO2 | Methionine aminopeptidase 2 | / | 0.464 | |
4z4p | SAH | Histone-lysine N-methyltransferase 2D | 2.1.1.43 | 0.464 | |
2ea2 | F77 | Methionine aminopeptidase 2 | / | 0.463 | |
4z87 | GDP | Inosine-5'-monophosphate dehydrogenase | / | 0.461 | |
2bpo | FAD | NADPH--cytochrome P450 reductase | / | 0.460 | |
2x06 | NAD | L-sulfolactate dehydrogenase | / | 0.459 | |
4b66 | FAD | L-ornithine N(5)-monooxygenase | / | 0.459 | |
4ms1 | 381 | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.459 | |
2wzy | SQX | Soluble acetylcholine receptor | / | 0.458 | |
3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.458 | |
3opx | U5P | Suppressor of disruption of TFIIS | / | 0.458 | |
1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.457 | |
4j7h | TRH | PCZA361.3 | / | 0.457 | |
3nub | UD0 | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.456 | |
4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.456 | |
2vyq | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.455 | |
4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.455 | |
5a4v | QUE | Glutathione S-transferase F2 | 2.5.1.18 | 0.455 | |
2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.454 | |
3lzw | NAP | Ferredoxin--NADP reductase 2 | 1.18.1.2 | 0.454 | |
3rtn | RTN | Beta-secretase 1 | 3.4.23.46 | 0.454 | |
1vce | SAH | Diphthine synthase | / | 0.453 | |
5dp2 | NAP | CurF | / | 0.453 | |
2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.452 | |
2z4y | 252 | Geranylgeranyl pyrophosphate synthase | / | 0.452 | |
4ba5 | PXG | Probable aminotransferase | / | 0.452 | |
5a4w | QCT | Glutathione S-transferase F2 | 2.5.1.18 | 0.452 | |
3ntr | NAD | Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase | 1.1.1.18 | 0.451 | |
4a3u | FMN | NADH:flavin oxidoreductase/NADH oxidase | / | 0.451 | |
4q0k | GA3 | Phytohormone-binding protein | / | 0.451 | |
1a8p | FAD | Ferredoxin--NADP reductase | / | 0.450 | |
1r58 | AO5 | Methionine aminopeptidase 2 | / | 0.450 | |
2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.450 | |
2ejk | SAH | Diphthine synthase | / | 0.450 | |
2gev | COK | Pantothenate kinase | 2.7.1.33 | 0.450 | |
3bnk | FMN | Flavoredoxin | / | 0.450 | |
4x7z | ZM3 | Mycinamicin III 3''-O-methyltransferase | 2.1.1.237 | 0.450 | |
1e79 | ATP | ATP synthase subunit alpha, mitochondrial | / | 0.449 | |
1e79 | ATP | ATP synthase subunit beta, mitochondrial | 3.6.3.14 | 0.449 | |
1j9z | FAD | NADPH--cytochrome P450 reductase | / | 0.449 | |
1z41 | FMN | NADPH dehydrogenase | / | 0.449 | |
2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.449 | |
2r6h | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.449 | |
3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.449 | |
3p0f | BAU | Uridine phosphorylase 2 | 2.4.2.3 | 0.449 | |
4q7f | 3D1 | Uncharacterized protein | / | 0.449 | |
1po7 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.448 | |
2e9a | B28 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.448 | |
2ptf | FMN | Uncharacterized protein MTH_863 | / | 0.448 | |
1u2r | SO1 | Elongation factor 2 | / | 0.447 | |
2rc5 | FAD | Ferredoxin--NADP reductase | / | 0.447 | |
3dr7 | GPD | GDP-perosamine synthase | / | 0.447 | |
4mpr | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.447 | |
2a5h | SAM | L-lysine 2,3-aminomutase | 5.4.3.2 | 0.446 | |
2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.446 | |
3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.446 | |
4fk8 | FAD | Ferredoxin--NADP reductase | / | 0.446 | |
1e7q | NAP | GDP-L-fucose synthase | / | 0.445 | |
1qzy | TDE | Methionine aminopeptidase 2 | / | 0.445 | |
1xh7 | R96 | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.445 | |
2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.445 | |
2ejz | SAH | Diphthine synthase | / | 0.445 | |
2gyu | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
2pb6 | SAH | Diphthine synthase | / | 0.445 | |
4a30 | QMI | Glycylpeptide N-tetradecanoyltransferase | / | 0.445 | |
4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.445 | |
4to4 | DCP | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.445 | |
1w19 | T1P | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.444 | |
2dsg | SAH | Diphthine synthase | / | 0.444 | |
3e32 | ED2 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.444 | |
1bsv | NDP | GDP-L-fucose synthase | / | 0.443 | |
1j49 | NAD | D-lactate dehydrogenase | 1.1.1.28 | 0.443 | |
1jum | BER | HTH-type transcriptional regulator QacR | / | 0.443 | |
1xdd | AAY | Integrin alpha-L | / | 0.443 | |
4e32 | DWN | Methyltransferase | / | 0.443 | |
1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.442 | |
2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.442 | |
2p6d | SAH | Diphthine synthase | / | 0.442 | |
3nt5 | NAI | Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase | 1.1.1.18 | 0.442 | |
3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.442 | |
4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.442 | |
4gg1 | TZD | Benzoylformate decarboxylase | 4.1.1.7 | 0.442 | |
2g25 | TDK | Pyruvate dehydrogenase E1 component | 1.2.4.1 | 0.441 | |
3zlm | ANP | Adenosine monophosphate-protein transferase NmFic | 2.7.7.n1 | 0.441 | |
2jf6 | S55 | Strictosidine-O-beta-D-glucosidase | 3.2.1.105 | 0.440 | |
3hl0 | NAD | Maleylacetate reductase | / | 0.440 | |
3ikt | NAD | Redox-sensing transcriptional repressor Rex | / | 0.440 | |
3uzz | ASD | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.440 | |
3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.440 | |
4e2y | JHZ | Methyltransferase | / | 0.440 | |
4u14 | 0HK | Muscarinic acetylcholine receptor M3 | / | 0.440 |