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 |
|---|---|---|---|
| 1l9k | SAH | Genome polyprotein | 2.7.7.48 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1l9k | SAH | Genome polyprotein | 2.7.7.48 | 1.000 | |
| 2p1d | SAH | Genome polyprotein | 2.7.7.48 | 0.700 | |
| 1r6a | SAH | Genome polyprotein | 2.7.7.48 | 0.592 | |
| 2p3q | SAH | Genome polyprotein | / | 0.586 | |
| 2pxa | SAH | Genome polyprotein | 2.7.7.48 | 0.585 | |
| 4ctj | SAM | Genome polyprotein | / | 0.579 | |
| 5jjr | SAH | Genome polyprotein | / | 0.562 | |
| 3elu | SAM | Methyltransferase | / | 0.559 | |
| 3eld | SFG | Methyltransferase | / | 0.550 | |
| 3p8z | SAH | Genome polyprotein | 2.1.1.56 | 0.550 | |
| 3p97 | SAM | Genome polyprotein | 2.1.1.56 | 0.545 | |
| 2px2 | SAH | Genome polyprotein | 2.7.7.48 | 0.543 | |
| 5jjs | SAH | Genome polyprotein | / | 0.541 | |
| 3ely | SAH | Methyltransferase | / | 0.534 | |
| 5dto | SAH | Genome polyprotein | / | 0.528 | |
| 3evc | SAH | Genome polyprotein | 2.1.1.56 | 0.524 | |
| 3evb | SAH | Genome polyprotein | 2.1.1.56 | 0.522 | |
| 5cuq | NSC | Genome polyprotein | / | 0.521 | |
| 2px5 | SAH | Genome polyprotein | 2.7.7.48 | 0.516 | |
| 3eva | SAH | Genome polyprotein | 2.1.1.56 | 0.513 | |
| 4k6m | SAH | Genome polyprotein | / | 0.501 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.492 | |
| 1ykd | CMP | Adenylate cyclase | / | 0.487 | |
| 3p8z | 36A | Genome polyprotein | 2.1.1.56 | 0.480 | |
| 3apf | BMW | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.477 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.475 | |
| 1s3u | TQD | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 3cwk | REA | Cellular retinoic acid-binding protein 2 | / | 0.472 | |
| 2chz | 093 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.469 | |
| 2xck | MH4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.469 | |
| 1rx8 | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.468 | |
| 4fjy | FJY | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.468 | |
| 1cbq | RE9 | Cellular retinoic acid-binding protein 2 | / | 0.465 | |
| 2w9h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.465 | |
| 3u9e | COA | Lmo1369 protein | / | 0.463 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.462 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.461 | |
| 1qyw | 5SD | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.460 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.460 | |
| 2jla | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.460 | |
| 4g1w | G1W | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.460 | |
| 1wc6 | TAT | Adenylate cyclase | / | 0.459 | |
| 2oxt | SAM | Genome polyprotein | / | 0.459 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 4xj4 | 3AT | Cyclic GMP-AMP synthase | / | 0.458 | |
| 5adh | APR | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.458 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 1pd9 | CO4 | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 2c31 | TZD | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.456 | |
| 2yx6 | ADP | Uncharacterized protein | / | 0.456 | |
| 2wou | ZZF | TGF-beta receptor type-1 | 2.7.11.30 | 0.455 | |
| 2csn | CKI | Casein kinase I homolog 1 | 2.7.11.1 | 0.454 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 4c3f | 7KW | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.454 | |
| 1cbs | REA | Cellular retinoic acid-binding protein 2 | / | 0.453 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 2qo5 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.452 | |
| 3v1s | 0LH | Strictosidine synthase | 4.3.3.2 | 0.452 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.452 | |
| 3nj0 | PYV | Abscisic acid receptor PYL2 | / | 0.451 | |
| 4kne | 1CY | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.450 | |
| 4bbx | LKF | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.450 | |
| 4ocp | ADP | N-acetylhexosamine 1-kinase | 2.7.1.162 | 0.450 | |
| 2fy4 | COA | Choline O-acetyltransferase | 2.3.1.6 | 0.449 | |
| 4jrn | ANP | Rhoptry kinase family protein | / | 0.449 | |
| 2aq8 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.448 | |
| 2w6n | OA2 | Biotin carboxylase | 6.3.4.14 | 0.448 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 4mv8 | ACP | Biotin carboxylase | 6.3.4.14 | 0.448 | |
| 1e90 | MYC | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.447 | |
| 1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 2e9n | 76A | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.447 | |
| 3g5s | FAD | Methylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO | / | 0.447 | |
| 2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 3eej | 53R | Uncharacterized protein | / | 0.446 | |
| 4g1y | 0VO | Vitamin D3 receptor A | / | 0.446 | |
| 4hkf | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.446 | |
| 1mvs | DTM | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1qpj | STU | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.445 | |
| 3eyh | IZA | Tyrosine-protein kinase JAK1 | / | 0.445 | |
| 4dpd | DHF | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.445 | |
| 2hb7 | O1C | Vitamin D3 receptor | / | 0.444 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.444 | |
| 2wns | OMP | Uridine 5'-monophosphate synthase | 2.4.2.10 | 0.444 | |
| 4anw | O92 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
| 4ie6 | UN9 | Alpha-ketoglutarate-dependent dioxygenase FTO | / | 0.444 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.443 | |
| 3ans | S38 | Bifunctional epoxide hydrolase 2 | 3.3.2.10 | 0.443 | |
| 3uvp | 048 | Mitogen-activated protein kinase 14 | / | 0.443 | |
| 2fzi | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 2gr1 | FAD | Ferredoxin reductase | / | 0.442 | |
| 2v2z | ADP | 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase | / | 0.442 | |
| 2v4l | ABJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.442 | |
| 2ddo | ATP | Pyridoxine/pyridoxal/pyridoxamine kinase | / | 0.441 | |
| 2ii6 | C5P | Alpha-2,3/2,6-sialyltransferase/sialidase | / | 0.441 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 4anv | 751 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
| 4f1s | F1S | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
| 4iql | FMN | Enoyl-(Acyl-carrier-protein) reductase II | / | 0.441 | |
| 4ocv | ANP | Aminoglycoside phosphotransferase | / | 0.441 | |
| 4x5g | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1l8q | ADP | Chromosomal replication initiator protein DnaA | / | 0.440 | |
| 1txi | TX5 | Vitamin D3 receptor | / | 0.440 | |
| 2has | C3O | Vitamin D3 receptor | / | 0.440 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 3a7j | ADP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.440 | |
| 4fgg | 0U5 | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 4ite | TEY | Vitamin D3 receptor | / | 0.440 | |
| 4n57 | ADP | APH(2'')-Id | / | 0.440 | |
| 4otp | ADP | Serine/threonine-protein kinase RIO1 | 2.7.11.1 | 0.440 | |
| 4qml | ANP | Serine/threonine-protein kinase 24 | 2.7.11.1 | 0.440 |