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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Cavity similarities measured by Shaper
You can zoom onto the graph by using the mouse to make a selection

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

Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
2bu7TF3[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial2.7.11.2

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2bu7TF3[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial2.7.11.21.000
4v26TF3[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial2.7.11.20.489
2gjlFMNNitronate monooxygenase1.13.12.160.485
5ahsFADAcyl-CoA dehydrogenase/0.470
3vt3VDXVitamin D3 receptor/0.469
1ie8KH1Vitamin D3 receptor/0.467
3w0c6DSVitamin D3 receptor/0.464
1txiTX5Vitamin D3 receptor/0.462
3rmf20ZCyclin-dependent kinase 22.7.11.220.460
3w0aDS5Vitamin D3 receptor/0.458
4ia7BIVVitamin D3 receptor A/0.457
3zw3ZW3Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform2.7.1.1530.456
4ia1BIVVitamin D3 receptor A/0.456
3w0jT08Vitamin D3 receptor/0.454
4ia3BIVVitamin D3 receptor A/0.453
3r9oZ71Cyclin-dependent kinase 22.7.11.220.452
4acm7YGCyclin-dependent kinase 22.7.11.220.452
2r3lSCWCyclin-dependent kinase 22.7.11.220.451
1dhjMTXDihydrofolate reductase1.5.1.30.450
1rk3VDXVitamin D3 receptor/0.449
2gjnFMNNitronate monooxygenase1.13.12.160.449
1ppjANYCytochrome b/0.448
3gyiFADCholesterol oxidase1.1.3.60.448
4itfTFYVitamin D3 receptor/0.448
4mxeACON-acetyltransferase ESCO12.3.10.448
4fhi0S4Vitamin D3 receptor A/0.447
4gi2NAPCrotonyl-CoA carboxylase/reductase/0.447
4xiwAZMCarbonic anhydrase, alpha type/0.447
2btsU32Cyclin-dependent kinase 22.7.11.220.446
3kpzZNEVitamin D3 receptor/0.446
3rk708ZCyclin-dependent kinase 22.7.11.220.446
4g9kFADRotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial1.6.5.90.446
1gih1PUCyclin-dependent kinase 22.7.11.220.445
2q4bNAPUncharacterized protein At5g02240/0.445
4g1z0VPVitamin D3 receptor A/0.445
1iolESTEstradiol 17-beta-dehydrogenase 11.1.1.620.444
3vt9YI4Vitamin D3 receptor/0.444
1aq1STUCyclin-dependent kinase 22.7.11.220.443
1s19MC9Vitamin D3 receptor/0.443
2zb45OPProstaglandin reductase 21.3.1.480.443
3etdNDPGlutamate dehydrogenase 1, mitochondrial1.4.1.30.443
4dc0NDPPutative ketoacyl reductase1.3.10.443
4ez30S0Cyclin-dependent kinase 22.7.11.220.443
1ie9VDXVitamin D3 receptor/0.442
4jib1L6cGMP-dependent 3',5'-cyclic phosphodiesterase3.1.4.170.442
2ftoTMPThymidylate synthase/0.441
2ftoCB3Thymidylate synthase/0.441
3p4tFAOPutative acyl-CoA dehydrogenase/0.441
3uli1N3Cyclin-dependent kinase 22.7.11.220.441
5eb5FAD(R)-mandelonitrile lyase 14.1.2.100.441
2ehqNAP1-pyrroline-5-carboxylate dehydrogenase/0.440
2hb7O1CVitamin D3 receptor/0.440
4ez8DHFThymidylate synthase2.1.1.450.440
5bt42LOBromodomain-containing protein 4/0.440