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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
2r8p T6F Transketolase 1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2r8p T6FTransketolase 1 / 1.699
2r8o T5XTransketolase 1 / 1.396
2r5n TPPTransketolase 1 / 1.085
3upt TPPTransketolase / 1.068
1gpu THDTransketolase 1 2.2.1.1 0.976
1itz TPPTransketolase, chloroplastic 2.2.1.1 0.927
1trk TPPTransketolase 1 2.2.1.1 0.919
3rim TPPTransketolase 2.2.1.1 0.910
3m7i TPPTransketolase / 0.894
1tkc M6TTransketolase 1 2.2.1.1 0.884
1ngs TPPTransketolase 1 2.2.1.1 0.870
3m34 TPPTransketolase / 0.843
1tkb N1TTransketolase 1 2.2.1.1 0.809
4c7x TPPTransketolase / 0.803
3m6l TPPTransketolase / 0.800
1w88 TDPPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.780
1w88 TDPPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.780
1ay0 TPPTransketolase 1 2.2.1.1 0.771
2j9f THV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.771
2j9f THV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial 1.2.4.4 0.771
2g25 TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.751
1tka N3TTransketolase 1 2.2.1.1 0.746
3dv0 TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.718
3dv0 TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.718
2g28 TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.713
4jub TPPBenzoylformate decarboxylase 4.1.1.7 0.713
1rp7 TZDPyruvate dehydrogenase E1 component 1.2.4.1 0.712
2qta TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.712
2q5q TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.709
1mcz TDPBenzoylformate decarboxylase 4.1.1.7 0.707
3zhs TD6Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.706
2jlc TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.704
4ju8 TZDBenzoylformate decarboxylase 4.1.1.7 0.703
3ahi HTLProbable phosphoketolase / 0.701
1y9d TPPPyruvate oxidase 1.2.3.3 0.695
2ezt TDMPyruvate oxidase 1.2.3.3 0.693
1bfd TPPBenzoylformate decarboxylase 4.1.1.7 0.691
3lq2 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.688
3zhu TD8Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.688
2ez9 TDKPyruvate oxidase 1.2.3.3 0.685
3ahe THDProbable phosphoketolase / 0.685
2iea TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.683
3ahj TPPProbable phosphoketolase / 0.683
4k9o TPPBenzoylformate decarboxylase 4.1.1.7 0.683
5dgt TZDBenzoylformate decarboxylase 4.1.1.7 0.683
2ihu TP9N(2)-(2-carboxyethyl)arginine synthase / 0.681
2q5o TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.681
1ols TDP2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.679
3zht TD9Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.679
4k9n TZDBenzoylformate decarboxylase 4.1.1.7 0.677
1po7 TZDBenzoylformate decarboxylase 4.1.1.7 0.676
4juf TPPBenzoylformate decarboxylase 4.1.1.7 0.674
4mpr TPPBenzoylformate decarboxylase 4.1.1.7 0.673
4k9p TPPBenzoylformate decarboxylase 4.1.1.7 0.672
4mzx TZDBenzoylformate decarboxylase 4.1.1.7 0.672
4ju9 TZDBenzoylformate decarboxylase 4.1.1.7 0.671
5ahk TPPAcetolactate synthase II, large subunit / 0.671
1pyd TDPPyruvate decarboxylase isozyme 1 / 0.668
3zhv TDWMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.668
2w93 TPPPyruvate decarboxylase isozyme 1 / 0.667
4qel TZDBenzoylformate decarboxylase 4.1.1.7 0.666
3zhq TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.665
5ej5 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.664
2jla TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.663
3dva TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.663
3dva TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.663
4mpp TZDBenzoylformate decarboxylase 4.1.1.7 0.662
1upc TPPN(2)-(2-carboxyethyl)arginine synthase / 0.661
2ji9 TPWOxalyl-CoA decarboxylase 4.1.1.8 0.660
3duf R1TPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.657
3duf R1TPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.657
3eya TDPPyruvate dehydrogenase [ubiquinone] 1.2.5.1 0.657
1l8a TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.655
1ovm TPPIndole-3-pyruvate decarboxylase 4.1.1.74 0.655
3ey9 TDPPyruvate dehydrogenase [ubiquinone] 1.2.5.1 0.655
4gm4 TZDBenzoylformate decarboxylase 4.1.1.7 0.653
1pox TPPPyruvate oxidase 1.2.3.3 0.651
2v3w TPPBenzoylformate decarboxylase 4.1.1.7 0.650