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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
4i4z 2NE 1,4-dihydroxy-2-naphthoyl-CoA synthase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4i4z 2NE1,4-dihydroxy-2-naphthoyl-CoA synthase / 1.382
4i42 1HA1,4-dihydroxy-2-naphthoyl-CoA synthase / 1.081
4i52 1HA1,4-dihydroxy-2-naphthoyl-CoA synthase / 1.050
3t88 S0N1,4-dihydroxy-2-naphthoyl-CoA synthase / 1.048
4qij 1HA1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.974
4qii 2NE1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.898
1jxz BCA4-chlorobenzoyl coenzyme A dehalogenase 3.8.1.7 0.882
1q51 CAA1,4-dihydroxy-2-naphthoyl-CoA synthase / 0.852
1nzy BCA4-chlorobenzoyl coenzyme A dehalogenase 3.8.1.7 0.809
2vss ACOHydroxycinnamoyl-CoA hydratase-lyase 4.1.2.41 0.743
1dub CAAEnoyl-CoA hydratase, mitochondrial 4.2.1.17 0.726
2np9 YE1(3,5-dihydroxyphenyl)acetyl-CoA 1,2-dioxygenase / 0.717
3glm COOGlutaconyl-CoA decarboxylase alpha subunit / 0.713
1mj3 HXCEnoyl-CoA hydratase, mitochondrial 4.2.1.17 0.700
3q0g BCOProbable enoyl-CoA hydratase echA8 4.2.1.17 0.678
1on3 MCAMethylmalonyl-CoA carboxyltransferase 12S subunit 2.1.3.1 0.660
1sg4 CO8Enoyl-CoA delta isomerase 1, mitochondrial 5.3.3.8 0.660
1ef9 2CPMethylmalonyl-CoA decarboxylase 4.1.1.41 0.658
5aaj HSCPeroxisomal bifunctional enzyme 1.1.1.35 0.652