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 |
---|---|---|---|
5dul | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
5dul | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 1.000 | |
2r7b | 253 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.485 | |
5hid | B1E | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.471 | |
4wq4 | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.464 | |
4yhj | AN2 | G protein-coupled receptor kinase 4 | 2.7.11.16 | 0.460 | |
1k6v | XN2 | Gag-Pol polyprotein | 3.4.23.16 | 0.459 | |
3zk5 | Z18 | Cytochrome P450 monooxygenase PikC | / | 0.457 | |
2hma | SAM | tRNA-specific 2-thiouridylase MnmA | / | 0.456 | |
2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.456 | |
2ivu | ZD6 | Proto-oncogene tyrosine-protein kinase receptor Ret | 2.7.10.1 | 0.456 | |
1okz | UCN | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.455 | |
4flh | 14K | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.455 | |
1h1w | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.454 | |
4ez5 | 0RS | Cyclin-dependent kinase 6 | 2.7.11.22 | 0.454 | |
3rwp | ABQ | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.453 | |
4fad | 0TB | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.453 | |
1yol | S03 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.452 | |
3klj | FAD | NADH-rubredoxin oxidoreductase | 1.18.1.1 | 0.452 | |
1jvs | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.451 | |
4bc6 | XZN | Serine/threonine-protein kinase 10 | 2.7.11.1 | 0.451 | |
4ug7 | 1EV | Nitric oxide synthase oxygenase | 1.14.13.165 | 0.451 | |
3i4b | Z48 | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.450 | |
4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.450 | |
2a1y | 5GP | GMP reductase | / | 0.449 | |
3eai | 328 | Nitric oxide synthase, inducible | 1.14.13.39 | 0.449 | |
3zew | STU | Ephrin type-B receptor 4 | 2.7.10.1 | 0.449 | |
4anu | EM7 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.449 | |
3lm9 | ADP | Putative fructokinase | 2.7.1.4 | 0.448 | |
3q92 | XNB | Ketohexokinase | / | 0.448 | |
4asd | BAX | Vascular endothelial growth factor receptor 2 | 2.7.10.1 | 0.448 | |
4dgg | I76 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.448 | |
3nux | 3NV | Cyclin-dependent kinase 6 | 2.7.11.22 | 0.446 | |
1k6p | XN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
1p44 | GEQ | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
3anm | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | 1.1.1.267 | 0.445 | |
3n0t | OPY | Dipeptidyl peptidase 2 | 3.4.14.2 | 0.445 | |
1bvr | THT | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.444 | |
1k6t | XN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
2hzn | KIN | Tyrosine-protein kinase ABL1 | 2.7.10.2 | 0.444 | |
3orz | BI4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.444 | |
3os3 | 3OS | Dual specificity mitogen-activated protein kinase kinase 1 | 2.7.12.2 | 0.444 | |
3qlg | 1N1 | Proto-oncogene tyrosine-protein kinase Src | 2.7.10.2 | 0.444 | |
4g1w | G1W | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.444 | |
4kz0 | 1UJ | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.444 | |
4ocg | FAD | FAD-dependent pyridine nucleotide-disulphide oxidoreductase | / | 0.444 | |
3bqr | 4RB | Death-associated protein kinase 3 | / | 0.443 | |
3sc1 | 3S1 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.443 | |
3vet | ADP | nebramycin 5' synthase | 6.1.2.2 | 0.443 | |
3zw3 | ZW3 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.443 | |
4kiq | 1RA | Mitogen-activated protein kinase 14 | / | 0.443 | |
4lwb | QJ8 | Nitric oxide synthase oxygenase | 1.14.13.165 | 0.443 | |
4wlo | NAI | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.443 | |
1wvx | BD4 | Death-associated protein kinase 1 | 2.7.11.1 | 0.442 | |
4fob | 0US | ALK tyrosine kinase receptor | 2.7.10.1 | 0.442 | |
5aaa | VGH | ALK tyrosine kinase receptor | 2.7.10.1 | 0.442 | |
1uvr | BI8 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.441 | |
2hxl | 422 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.441 | |
3dqr | JI2 | Nitric oxide synthase, brain | 1.14.13.39 | 0.441 | |
3f5p | 741 | Insulin-like growth factor 1 receptor | 2.7.10.1 | 0.441 | |
4anq | VGH | ALK tyrosine kinase receptor | 2.7.10.1 | 0.441 | |
4anv | 751 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.441 | |
4jsj | QJ7 | Nitric oxide synthase, brain | 1.14.13.39 | 0.441 | |
1k6c | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
3ufq | HW5 | Nitric oxide synthase, brain | 1.14.13.39 | 0.440 | |
4lux | QJ8 | Nitric oxide synthase, brain | 1.14.13.39 | 0.440 |