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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
1q4u 4CA 4-hydroxybenzoyl-CoA thioesterase 3.1.2.23

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1q4u 4CA4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 1.346
3r3d 4CO4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 1.172
3r3f 4CO4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 1.107
1q4t 4CO4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 1.050
3r35 4CO4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 1.049
3r37 4CO4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 1.026
3r3c 4CO4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 1.010
3r3b 4CO4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 0.996
3r32 4CO4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 0.992
3tea 4CO4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 0.947
3r34 COA4-hydroxybenzoyl-CoA thioesterase 3.1.2.23 0.701
3lbe COAUncharacterized protein / 0.662
4gah 0ETAcyl-coenzyme A thioesterase THEM4 3.1.2.2 0.657