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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Interaction pattern similarity measured by Grim
You can zoom onto the graph by using the mouse to make a selection

Binding Modes are compared using Grim.
For more information, please see the following publication: Desaphy J. et al. Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs J. Chem. Inf. Model., 2013, 53 (3), pp 623-637
Binding modes are considered as similar when the similarity value is greater than 0.65


Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
2ibw COA Acetyl-CoA acetyltransferase, mitochondrial 2.3.1.9

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2ibw COAAcetyl-CoA acetyltransferase, mitochondrial 2.3.1.9 1.155
2iby COAAcetyl-CoA acetyltransferase, mitochondrial 2.3.1.9 1.090
2ibu COAAcetyl-CoA acetyltransferase, mitochondrial 2.3.1.9 1.089
2f2s COAAcetyl-CoA acetyltransferase, mitochondrial 2.3.1.9 0.852
1wl4 COAAcetyl-CoA acetyltransferase, cytosolic 2.3.1.9 0.757
4c2j COA3-ketoacyl-CoA thiolase, mitochondrial 2.3.1.16 0.720
5bz4 COABeta-ketothiolase / 0.671
4ubt COASteroid 3-ketoacyl-CoA thiolase / 0.661