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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
2v1oCOACytosolic acyl coenzyme A thioester hydrolase3.1.2.2

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity		 Align
2v1oCOACytosolic acyl coenzyme A thioester hydrolase3.1.2.21.000
4nky3QZSteroid 17-alpha-hydroxylase/17,20 lyase/0.473
1k6cMK1Gag-Pol polyprotein3.4.23.160.461
1xe55FEPlasmepsin-23.4.23.390.456
4dfrMTXDihydrofolate reductase1.5.1.30.456
2q9fC3SCholesterol 24-hydroxylase/0.452
3mdvCL6Cholesterol 24-hydroxylase/0.452
3r34COA4-hydroxybenzoyl-CoA thioesterase3.1.2.230.451
2nniMTKCytochrome P450 2C8/0.450
4ia7BIVVitamin D3 receptor A/0.450
1uyuCAMCamphor 5-monooxygenase1.14.15.10.449
3vev0H4Glucokinase2.7.1.20.449
4tuvCPZCytochrome P450 1191.140.448
1draMTXDihydrofolate reductase1.5.1.30.447
3gwfFADCyclohexanone monooxygenase/0.446
1k6tXN1Gag-Pol polyprotein3.4.23.160.445
2q4bNAPUncharacterized protein At5g02240/0.445
1jipKTN6-deoxyerythronolide B hydroxylase/0.444
2wyvNADEnoyl-[acyl-carrier-protein] reductase [NADH]/0.444
2j14GNIPeroxisome proliferator-activated receptor delta/0.443
1d4aFADNAD(P)H dehydrogenase [quinone] 11.6.5.20.442
2znq401Peroxisome proliferator-activated receptor delta/0.442
1jioDEB6-deoxyerythronolide B hydroxylase/0.441
1t86CAMCamphor 5-monooxygenase1.14.15.10.440
4cqlNADEstradiol 17-beta-dehydrogenase 81.1.1.620.440