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 |
|---|---|---|---|
| 3fbc | TYD | Nucleoside diphosphate kinase | 2.7.4.6 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3fbc | TYD | Nucleoside diphosphate kinase | 2.7.4.6 | 1.000 | |
| 3fbe | GDP | Nucleoside diphosphate kinase | 2.7.4.6 | 0.562 | |
| 3ngu | ADP | Nucleoside diphosphate kinase | / | 0.525 | |
| 1ndc | TYD | Nucleoside diphosphate kinase, cytosolic | 2.7.4.6 | 0.503 | |
| 1bux | PPS | Nucleoside diphosphate kinase, cytosolic | 2.7.4.6 | 0.498 | |
| 3q8u | ADP | Nucleoside diphosphate kinase | / | 0.498 | |
| 1wkl | ATP | Nucleoside diphosphate kinase | / | 0.495 | |
| 3jun | AKD | Phenazine biosynthesis protein A/B | / | 0.494 | |
| 3v0o | 4GW | Histo-blood group ABO system transferase | / | 0.493 | |
| 1zs6 | ADP | Nucleoside diphosphate kinase 3 | 2.7.4.6 | 0.490 | |
| 4yfy | 1YJ | VioF | / | 0.484 | |
| 3p3c | 3P3 | UDP-3-O-acyl-N-acetylglucosamine deacetylase | / | 0.471 | |
| 3v0p | 4GW | Histo-blood group ABO system transferase | / | 0.471 | |
| 1nhk | CMP | Nucleoside diphosphate kinase | 2.7.4.6 | 0.469 | |
| 3upt | TPP | Transketolase | / | 0.469 | |
| 5dp2 | NAP | CurF | / | 0.469 | |
| 5c3j | UQ1 | Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial | / | 0.467 | |
| 5c3j | UQ1 | Succinate dehydrogenase cytochrome b560 | / | 0.467 | |
| 1tka | N3T | Transketolase 1 | 2.2.1.1 | 0.466 | |
| 3t8v | BTJ | M1 family aminopeptidase | 3.4.11 | 0.466 | |
| 4qvh | COA | Phosphopantetheinyl transferase PptT (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrier protein]pantetheinephosphotransferase) | / | 0.465 | |
| 1trk | TPP | Transketolase 1 | 2.2.1.1 | 0.464 | |
| 2r5n | TPP | Transketolase 1 | / | 0.461 | |
| 3pvc | FAD | tRNA 5-methylaminomethyl-2-thiouridine biosynthesis bifunctional protein MnmC | / | 0.461 | |
| 5dro | ZH2 | UDP-3-O-acyl-N-acetylglucosamine deacetylase | / | 0.461 | |
| 1vyr | FMN | Pentaerythritol tetranitrate reductase | / | 0.460 | |
| 1xdp | ATP | Polyphosphate kinase | / | 0.459 | |
| 4nbb | 9CA | Terminal oxygenase component of carbazole | / | 0.459 | |
| 2r8p | T6F | Transketolase 1 | / | 0.458 | |
| 3cvk | N34 | Genome polyprotein | 2.7.7.48 | 0.458 | |
| 3epy | COA | Acyl-CoA-binding domain-containing protein 7 | / | 0.458 | |
| 3upi | 0C2 | Genome polyprotein | 2.7.7.48 | 0.457 | |
| 3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.456 | |
| 1g3m | PCQ | Estrogen sulfotransferase | 2.8.2.4 | 0.455 | |
| 3hj9 | FMN | Uncharacterized protein | / | 0.455 | |
| 3qiy | QI1 | Botulinum neurotoxin type A | 3.4.24.69 | 0.455 | |
| 4rqu | NAD | Alcohol dehydrogenase class-P | / | 0.454 | |
| 3c4v | LIP | D-inositol 3-phosphate glycosyltransferase | 2.4.1.250 | 0.452 | |
| 2ycn | P61 | Tyrosine phenol-lyase | 4.1.99.2 | 0.451 | |
| 2ym2 | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.451 | |
| 3b9l | AZZ | Serum albumin | / | 0.451 | |
| 3cea | NAD | Myo-inositol 2-dehydrogenase-like (Promiscuous) | / | 0.451 | |
| 2ptf | FMN | Uncharacterized protein MTH_863 | / | 0.450 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.450 | |
| 1z6t | ADP | Apoptotic protease-activating factor 1 | / | 0.449 | |
| 3p82 | FMN | Pentaerythritol tetranitrate reductase | / | 0.449 | |
| 4g1n | NZT | Pyruvate kinase PKM | 2.7.1.40 | 0.449 | |
| 4uy6 | SAH | Histidine N-alpha-methyltransferase | / | 0.449 | |
| 1h50 | FMN | Pentaerythritol tetranitrate reductase | / | 0.448 | |
| 1z4u | PH9 | Polyprotein | / | 0.448 | |
| 2hve | ADP | Nucleoside diphosphate kinase A | 2.7.4.6 | 0.448 | |
| 4dem | YS4 | Farnesyl pyrophosphate synthase | 2.5.1.10 | 0.448 | |
| 1cbr | REA | Cellular retinoic acid-binding protein 1 | / | 0.447 | |
| 1qxo | FMN | Chorismate synthase | / | 0.447 | |
| 2ylx | FAD | Phenylacetone monooxygenase | 1.14.13.92 | 0.447 | |
| 3h59 | H59 | Genome polyprotein | 2.7.7.48 | 0.447 | |
| 3vo8 | GDP | Cell division protein FtsZ | / | 0.447 | |
| 4q5j | ANP | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.447 | |
| 4uga | H4B | Nitric oxide synthase oxygenase | 1.14.13.165 | 0.447 | |
| 1nmk | SFM | Peptidyl-prolyl cis-trans isomerase A | 5.2.1.8 | 0.446 | |
| 4a99 | FAD | TetX family tetracycline inactivation enzyme | / | 0.446 | |
| 4iwv | 1J9 | Glucokinase | 2.7.1.2 | 0.446 | |
| 2d1c | NAP | Isocitrate dehydrogenase [NADP] | 1.1.1.42 | 0.445 | |
| 3h5s | H5S | Genome polyprotein | 2.7.7.48 | 0.445 | |
| 3sqw | ANP | ATP-dependent RNA helicase MSS116, mitochondrial | 3.6.4.13 | 0.445 | |
| 4a6n | FAD | TetX family tetracycline inactivation enzyme | / | 0.445 | |
| 4bfy | ZVY | Pantothenate kinase | 2.7.1.33 | 0.445 | |
| 4yer | ADP | Antibiotic ABC transporter, ATP-binding protein, putative | / | 0.445 | |
| 4yfy | 0FX | VioF | / | 0.445 | |
| 3c6n | 2S8 | Protein TRANSPORT INHIBITOR RESPONSE 1 | / | 0.444 | |
| 1ngs | TPP | Transketolase 1 | 2.2.1.1 | 0.443 | |
| 2b9i | ADP | Mitogen-activated protein kinase FUS3 | 2.7.11.24 | 0.443 | |
| 3p67 | FMN | Pentaerythritol tetranitrate reductase | / | 0.443 | |
| 4la7 | A1O | Abscisic acid receptor PYL2 | / | 0.443 | |
| 1db4 | 8IN | Phospholipase A2, membrane associated | / | 0.442 | |
| 1stc | STU | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.442 | |
| 2a84 | ATP | Pantothenate synthetase | 6.3.2.1 | 0.442 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.442 | |
| 2jh0 | 701 | Prothrombin | 3.4.21.5 | 0.442 | |
| 3gbu | ATP | Uncharacterized sugar kinase PH1459 | 2.7.1 | 0.442 | |
| 4eaw | 0NQ | Genome polyprotein | 2.7.7.48 | 0.442 | |
| 1cbq | RE9 | Cellular retinoic acid-binding protein 2 | / | 0.441 | |
| 1kqu | BR4 | Phospholipase A2, membrane associated | / | 0.441 | |
| 2b9j | ADP | Mitogen-activated protein kinase FUS3 | 2.7.11.24 | 0.441 | |
| 2hq9 | FAD | Mll6688 protein | / | 0.441 | |
| 2r8o | T5X | Transketolase 1 | / | 0.441 | |
| 3i5x | ANP | ATP-dependent RNA helicase MSS116, mitochondrial | 3.6.4.13 | 0.441 | |
| 3u3o | 3QV | Sulfotransferase 1A1 | 2.8.2.1 | 0.441 | |
| 3x02 | 5GP | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | 2.7.1.149 | 0.441 | |
| 3zbz | OVE | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.441 | |
| 4k5o | 1OT | M1 family aminopeptidase | 3.4.11 | 0.441 | |
| 5iqi | GNP | Bifunctional AAC/APH | 2.3.1 | 0.441 | |
| 3daf | FEG | 5,10-methenyltetrahydromethanopterin hydrogenase | 1.12.98.2 | 0.440 | |
| 3il4 | ACO | 3-oxoacyl-[acyl-carrier-protein] synthase 3 | / | 0.440 | |
| 3vkj | FNR | Isopentenyl-diphosphate delta-isomerase | / | 0.440 | |
| 3zks | WZV | Beta-secretase 2 | 3.4.23.45 | 0.440 | |
| 4dli | IRG | Mitogen-activated protein kinase 14 | / | 0.440 | |
| 4g2i | 0VQ | Vitamin D3 receptor | / | 0.440 | |
| 4h1e | 10J | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4hbm | 0Y7 | E3 ubiquitin-protein ligase Mdm2 | 6.3.2 | 0.440 | |
| 4mq2 | 2C4 | Dual specificity tyrosine-phosphorylation-regulated kinase 1A | 2.7.12.1 | 0.440 | |
| 4tta | FMC | Purine nucleoside phosphorylase DeoD-type | / | 0.440 |