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 |
---|---|---|---|
3f8s | PF2 | Dipeptidyl peptidase 4 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
3f8s | PF2 | Dipeptidyl peptidase 4 | / | 1.000 | |
3vjl | W94 | Dipeptidyl peptidase 4 | / | 0.614 | |
3vjk | M51 | Dipeptidyl peptidase 4 | / | 0.612 | |
3qbj | NXZ | Dipeptidyl peptidase 4 | / | 0.594 | |
3ccb | B2Y | Dipeptidyl peptidase 4 | / | 0.559 | |
3opm | LUI | Dipeptidyl peptidase 4 | / | 0.549 | |
4ffw | 715 | Dipeptidyl peptidase 4 | / | 0.543 | |
4g1f | 0WG | Dipeptidyl peptidase 4 | / | 0.537 | |
4a5s | N7F | Dipeptidyl peptidase 4 | / | 0.535 | |
3g0b | T22 | Dipeptidyl peptidase 4 | / | 0.534 | |
3ccc | 7AC | Dipeptidyl peptidase 4 | / | 0.531 | |
2rgu | 356 | Dipeptidyl peptidase 4 | / | 0.522 | |
2aj8 | SC3 | Dipeptidyl peptidase 4 | / | 0.499 | |
3g0g | RUM | Dipeptidyl peptidase 4 | / | 0.498 | |
3g0d | XIH | Dipeptidyl peptidase 4 | / | 0.486 | |
3nub | UD0 | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.479 | |
3dzk | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.475 | |
4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.469 | |
2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.468 | |
4rvf | TYD | D-mycarose 3-C-methyltransferase | / | 0.462 | |
2oae | AIL | Dipeptidyl peptidase 4 | / | 0.461 | |
2xje | U5P | Cytosolic purine 5'-nucleotidase | 3.1.3.5 | 0.460 | |
2xuo | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.460 | |
2a3b | CFF | Endochitinase B1 | 3.2.1.14 | 0.457 | |
3dzi | RGT | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.456 | |
4hmz | 18T | dTDP-4-dehydro-6-deoxyglucose 3-epimerase | 5.1.3.27 | 0.456 | |
4i1c | 1BE | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
4qg1 | DTP | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.454 | |
1tll | FMN | Nitric oxide synthase, brain | 1.14.13.39 | 0.453 | |
1toi | HCI | Aspartate aminotransferase | 2.6.1.1 | 0.452 | |
3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.452 | |
3dme | FAD | Putative conserved exported protein | / | 0.451 | |
3h3q | H13 | Collagen type IV alpha-3-binding protein | / | 0.451 | |
4gdc | NDP | UDP-galactopyranose mutase | / | 0.451 | |
4rxq | DUT | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.450 | |
4to2 | DGT | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.450 | |
2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.449 | |
3e34 | ED1 | Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha | / | 0.449 | |
3e34 | ED1 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.449 | |
2xuq | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.446 | |
4tvj | 09L | Poly [ADP-ribose] polymerase 2 | 2.4.2.30 | 0.446 | |
2wzy | SQX | Soluble acetylcholine receptor | / | 0.445 | |
4aws | FMN | NADH:flavin oxidoreductase Sye1 | / | 0.445 | |
2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
3hdy | GDU | UDP-galactopyranose mutase | / | 0.444 | |
4j7h | TRH | PCZA361.3 | / | 0.444 | |
4kq6 | DLZ | 6,7-dimethyl-8-ribityllumazine synthase | / | 0.444 | |
3oe9 | ITD | C-X-C chemokine receptor type 4 | / | 0.444 | |
1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
2q92 | B23 | Methionine aminopeptidase | / | 0.443 | |
3aez | GDP | Pantothenate kinase | 2.7.1.33 | 0.443 | |
4to1 | DCP | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.443 | |
2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.442 | |
1x1d | SAH | C-20 methyltransferase | / | 0.441 | |
3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.441 | |
3ou2 | SAH | SAM-dependent methyltransferase | / | 0.441 | |
1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
1rkw | PNT | HTH-type transcriptional regulator QacR | / | 0.440 | |
2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.440 | |
2vat | COA | Acetyl-CoA--deacetylcephalosporin C acetyltransferase | 2.3.1.175 | 0.440 | |
4eb7 | PLP | Cysteine desulfurase IscS 2 | / | 0.440 |