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 |
---|---|---|---|
1ogj | FAD | Ferredoxin--NADP reductase | 1.18.1.2 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
1ogj | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 1.000 | |
1ogi | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.885 | |
1h42 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.803 | |
1e62 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.704 | |
1que | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.681 | |
4c43 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.655 | |
1gr1 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.643 | |
1e63 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.639 | |
1gaw | FAD | Ferredoxin | / | 0.635 | |
1e64 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.631 | |
1go2 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.628 | |
1fnb | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.625 | |
1bjk | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.623 | |
1qgz | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.621 | |
1gjr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.620 | |
1qgy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.615 | |
1fnd | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.613 | |
3zbt | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.613 | |
1fnc | FDA | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.611 | |
3zc3 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.610 | |
3vo2 | FAD | Ferredoxin--NADP reductase | / | 0.605 | |
1h85 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.604 | |
1qh0 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.603 | |
1bx0 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.602 | |
4af7 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.600 | |
1bx1 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.593 | |
3w5u | FAD | Ferredoxin | / | 0.590 | |
1gaq | FAD | Ferredoxin | / | 0.580 | |
2b5o | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.576 | |
4bpr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.575 | |
4af6 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.571 | |
1ewy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.564 | |
2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.564 | |
1sm4 | FAD | Ferredoxin--NADP reductase | / | 0.563 | |
3mhp | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.555 | |
3jqr | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.536 | |
1w35 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.531 | |
1b2r | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.526 | |
3fpk | FAD | Ferredoxin-NADP reductase | / | 0.523 | |
1w87 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.520 | |
4yao | FAD | NADPH--cytochrome P450 reductase | / | 0.513 | |
2ok8 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.511 | |
1j9z | FAD | NADPH--cytochrome P450 reductase | / | 0.505 | |
1amo | FAD | NADPH--cytochrome P450 reductase | / | 0.504 | |
3qfs | FAD | NADPH--cytochrome P450 reductase | / | 0.497 | |
5c6c | CMP | cGMP-dependent protein kinase 2 | 2.7.11.12 | 0.495 | |
2rc5 | FAD | Ferredoxin--NADP reductase | / | 0.492 | |
2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.485 | |
3ojx | FAD | NADPH--cytochrome P450 reductase | / | 0.485 | |
4uaj | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.484 | |
5ah5 | LSS | Leucine--tRNA ligase | / | 0.483 | |
3qft | FAD | NADPH--cytochrome P450 reductase | / | 0.481 | |
4y9u | FAD | NADPH--cytochrome P450 reductase | / | 0.479 | |
1gky | 5GP | Guanylate kinase | 2.7.4.8 | 0.478 | |
3i0p | NAD | Malate dehydrogenase, putative | / | 0.477 | |
2hk9 | NAP | Shikimate dehydrogenase (NADP(+)) | / | 0.476 | |
1ex7 | 5GP | Guanylate kinase | 2.7.4.8 | 0.475 | |
4b68 | FAD | L-ornithine N(5)-monooxygenase | / | 0.475 | |
2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.472 | |
4i10 | 1BS | Beta-secretase 1 | 3.4.23.46 | 0.472 | |
4wx2 | F6F | Tryptophan synthase alpha chain | / | 0.470 | |
4wx2 | F6F | Tryptophan synthase beta chain | 4.2.1.20 | 0.470 | |
3fr5 | I4A | Fatty acid-binding protein, adipocyte | / | 0.468 | |
2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.467 | |
4a32 | 2CD | Glycylpeptide N-tetradecanoyltransferase | / | 0.467 | |
2y1o | T26 | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.466 | |
4kq6 | DLZ | 6,7-dimethyl-8-ribityllumazine synthase | / | 0.466 | |
4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.465 | |
4b14 | 4XB | Glycylpeptide N-tetradecanoyltransferase | / | 0.464 | |
4jxx | ATP | Glutamine--tRNA ligase | 6.1.1.18 | 0.464 | |
5a4v | QUE | Glutathione S-transferase F2 | 2.5.1.18 | 0.464 | |
3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.463 | |
1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.462 | |
3vf6 | 0H6 | Glucokinase | 2.7.1.2 | 0.462 | |
4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.462 | |
1ja1 | FAD | NADPH--cytochrome P450 reductase | / | 0.461 | |
1tll | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.461 | |
1w19 | T1P | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.461 | |
2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.461 | |
1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.460 | |
2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.460 | |
2xnc | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.459 | |
2e9a | B28 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.456 | |
4b4v | L34 | Bifunctional protein FolD | / | 0.456 | |
4nbh | 9CA | Terminal oxygenase component of carbazole | / | 0.456 | |
1qoq | IGP | Tryptophan synthase alpha chain | / | 0.455 | |
1ndz | FR5 | Adenosine deaminase | 3.5.4.4 | 0.454 | |
2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.454 | |
3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.454 | |
3sn6 | P0G | Beta-2 adrenergic receptor | / | 0.454 | |
3k8q | 22A | Purine nucleoside phosphorylase | 2.4.2.1 | 0.453 | |
3s41 | S41 | Glucokinase | 2.7.1.2 | 0.453 | |
3p0g | P0G | Beta-2 adrenergic receptor | / | 0.453 | |
1a8p | FAD | Ferredoxin--NADP reductase | / | 0.452 | |
2rd2 | QSI | Glutamine--tRNA ligase | 6.1.1.18 | 0.452 | |
3hl0 | NAD | Maleylacetate reductase | / | 0.452 | |
3hmv | HBT | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.452 | |
3qfc | FAD | NADPH--cytochrome P450 reductase | / | 0.452 | |
3vkj | FNR | Isopentenyl-diphosphate delta-isomerase | / | 0.452 | |
5c8a | 5AD | Probable transcriptional regulator | / | 0.452 | |
2bpo | FAD | NADPH--cytochrome P450 reductase | / | 0.451 | |
2wzy | SQX | Soluble acetylcholine receptor | / | 0.451 | |
3e33 | ED7 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.451 | |
3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
4gtp | 7TP | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.451 | |
1x1b | SAH | C-20 methyltransferase | / | 0.450 | |
1eje | FMN | Protein MTH_152 | / | 0.449 | |
3lzw | NAP | Ferredoxin--NADP reductase 2 | 1.18.1.2 | 0.449 | |
3ntr | NAD | Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase | 1.1.1.18 | 0.449 | |
2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.448 | |
3p2o | NAD | Bifunctional protein FolD | / | 0.448 | |
4b13 | X25 | Glycylpeptide N-tetradecanoyltransferase | / | 0.448 | |
1ib0 | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.447 | |
1ut6 | A8N | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
1xs7 | MMI | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
2hxz | H7J | Cathepsin S | 3.4.22.27 | 0.447 | |
2re8 | GSU | Glutamine--tRNA ligase | 6.1.1.18 | 0.447 | |
2vnj | FAD | NADPH:ferredoxin reductase | / | 0.447 | |
3bw4 | FMN | Putative 2-nitropropane dioxygenase | / | 0.447 | |
3p0f | BAU | Uridine phosphorylase 2 | 2.4.2.3 | 0.447 | |
4b4w | 9L9 | Bifunctional protein FolD | / | 0.447 | |
4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.447 | |
4k2x | FAD | Polyketide oxygenase/hydroxylase | / | 0.447 | |
1aka | PLP | Aspartate aminotransferase, mitochondrial | 2.6.1.1 | 0.446 | |
1fdr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.446 | |
1swt | BTN | Streptavidin | / | 0.446 | |
2r6h | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.446 | |
2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
4c2z | 646 | Glycylpeptide N-tetradecanoyltransferase 1 | / | 0.446 | |
4dz7 | D02 | Carbonic anhydrase 2 | 4.2.1.1 | 0.446 | |
4to2 | DGT | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.446 | |
4zj8 | SUV | Orexin receptor type 1 | / | 0.446 | |
1qrs | ATP | Glutamine--tRNA ligase | 6.1.1.18 | 0.445 | |
1vce | SAH | Diphthine synthase | / | 0.445 | |
2vr1 | ATF | Biotin carboxylase | 6.3.4.14 | 0.445 | |
3q7f | ED2 | Uncharacterized protein | / | 0.445 | |
1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.444 | |
2zrv | FNR | Isopentenyl-diphosphate delta-isomerase | / | 0.444 | |
3e32 | ED2 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.444 | |
3rtn | RTN | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
4jt8 | 1NR | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.444 | |
1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
1qtq | QSI | Glutamine--tRNA ligase | 6.1.1.18 | 0.443 | |
2e94 | 364 | Geranylgeranyl pyrophosphate synthase | / | 0.443 | |
2yne | YNE | Glycylpeptide N-tetradecanoyltransferase | / | 0.443 | |
3cot | STR | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.443 | |
3pft | FMN | Flavin reductase | / | 0.443 | |
3uzz | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.443 | |
4b1j | A1R | Poly(ADP-ribose) glycohydrolase | 3.2.1.143 | 0.443 | |
4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.443 | |
4n4w | SNT | Smoothened homolog | / | 0.443 | |
1h60 | STR | Pentaerythritol tetranitrate reductase | / | 0.442 | |
2ea2 | F77 | Methionine aminopeptidase 2 | / | 0.442 | |
2p6d | SAH | Diphthine synthase | / | 0.442 | |
2zry | FNR | Isopentenyl-diphosphate delta-isomerase | / | 0.442 | |
4z4p | SAH | Histone-lysine N-methyltransferase 2D | 2.1.1.43 | 0.442 | |
1kce | CB3 | Thymidylate synthase | / | 0.441 | |
1pr4 | MTP | Purine nucleoside phosphorylase DeoD-type | / | 0.441 | |
2owf | SAH | Diphthine synthase | / | 0.441 | |
3dva | TPW | Pyruvate dehydrogenase E1 component subunit alpha | 1.2.4.1 | 0.441 | |
3dva | TPW | Pyruvate dehydrogenase E1 component subunit beta | 1.2.4.1 | 0.441 | |
4b2g | V1N | Uncharacterized protein | / | 0.441 | |
2ejk | SAH | Diphthine synthase | / | 0.440 | |
2vd0 | D27 | Hematopoietic prostaglandin D synthase | / | 0.440 | |
3b8x | G4M | Putative pyridoxamine 5-phosphate-dependent dehydrase | / | 0.440 | |
3bus | SAH | Demethylrebeccamycin-D-glucose O-methyltransferase | / | 0.440 | |
3h2s | NDP | Putative NADH-flavin reductase | / | 0.440 | |
3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.440 | |
4b12 | C23 | Glycylpeptide N-tetradecanoyltransferase | / | 0.440 | |
4j7h | TRH | PCZA361.3 | / | 0.440 | |
4q7f | 3D1 | Uncharacterized protein | / | 0.440 |