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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
1jxz BCA 4-chlorobenzoyl coenzyme A dehalogenase 3.8.1.7

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1jxz BCA4-chlorobenzoyl coenzyme A dehalogenase 3.8.1.7 1.486
1nzy BCA4-chlorobenzoyl coenzyme A dehalogenase 3.8.1.7 1.377
4qii 2NE1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.898
4i4z 2NE1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.882
4qij 1HA1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.879
4i42 1HA1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.845
1q51 CAA1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.751
2np9 YE1(3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase / 0.723
1dub CAAEnoyl-CoA hydratase, mitochondrial 4.2.1.17 0.712
4i52 1HA1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.702
3glm COOGlutaconyl-CoA decarboxylase alpha subunit / 0.693
4ylh YE1(3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase / 0.687
1sg4 CO8Enoyl-CoA delta isomerase 1, mitochondrial 5.3.3.8 0.684
1ey3 DAKEnoyl-CoA hydratase, mitochondrial 4.2.1.17 0.675
1ef9 2CPMethylmalonyl-CoA decarboxylase 4.1.1.41 0.665
1mj3 HXCEnoyl-CoA hydratase, mitochondrial 4.2.1.17 0.662
3t88 S0N1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.651