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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
4bqs K2Q Shikimate kinase 2.7.1.71

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4bqs K2QShikimate kinase 2.7.1.71 0.955
2vcm M11Isopenicillin N synthase 1.21.3.1 0.687
2j41 5GPGuanylate kinase / 0.680
1df7 MTXDihydrofolate reductase 1.5.1.3 0.679
1qiq ACCIsopenicillin N synthase 1.21.3.1 0.670
2jb4 A14Isopenicillin N synthase 1.21.3.1 0.670
1qjf ACSIsopenicillin N synthase 1.21.3.1 0.667
2vbp VB1Isopenicillin N synthase 1.21.3.1 0.667
1w06 W05Isopenicillin N synthase 1.21.3.1 0.666
2r2n KYNKynurenine/alpha-aminoadipate aminotransferase, mitochondrial 2.6.1.39 0.665
2y60 M8FIsopenicillin N synthase 1.21.3.1 0.664
1blz ACVIsopenicillin N synthase 1.21.3.1 0.663
1oz0 MS1Bifunctional purine biosynthesis protein PURH 2.1.2.3 0.662
3zoi M2WIsopenicillin N synthase 1.21.3.1 0.661
1dyh DZFDihydrofolate reductase 1.5.1.3 0.658
1uzw CDHIsopenicillin N synthase 1.21.3.1 0.658
2zrz FNRIsopentenyl-diphosphate delta-isomerase / 0.658
3drc MTXDihydrofolate reductase 1.5.1.3 0.658
2wba NDPTrypanothione reductase 1.8.1.12 0.657
1obn ASVIsopenicillin N synthase 1.21.3.1 0.656
3dds 26BGlycogen phosphorylase, liver form 2.4.1.1 0.655
4bqy FNTEgl nine homolog 1 / 0.655
1hb1 OCVIsopenicillin N synthase 1.21.3.1 0.654
7req 2CPMethylmalonyl-CoA mutase large subunit 5.4.99.2 0.654
3och 2MXDihydrofolate reductase 1.5.1.3 0.652
1jom FFODihydrofolate reductase 1.5.1.3 0.650
1toi HCIAspartate aminotransferase 2.6.1.1 0.650