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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
1q51 CAA 1,4-dihydroxy-2-naphthoyl-CoA synthase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1q51 CAA1,4-dihydroxy-2-naphthoyl-CoA synthase / 1.213
4qii 2NE1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.885
3t88 S0N1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.882
4qij 1HA1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.881
4i42 1HA1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.874
4i4z 2NE1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.852
4i52 1HA1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.805
1jxz BCA4-chlorobenzoyl coenzyme A dehalogenase 3.8.1.7 0.751
1nzy BCA4-chlorobenzoyl coenzyme A dehalogenase 3.8.1.7 0.728
2vss ACOHydroxycinnamoyl-CoA hydratase-lyase 4.1.2.41 0.707
4zdc CO83,2-trans-enoyl-CoA isomerase 5.3.3.8 0.690
1dub CAAEnoyl-CoA hydratase, mitochondrial 4.2.1.17 0.682
3q0g BCOProbable enoyl-CoA hydratase echA8 4.2.1.17 0.670