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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
3dva TPW Pyruvate dehydrogenase E1 component subunit alpha 1.2.4.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3dva TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 1.198
3dva TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 1.198
3dv0 TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 1.018
3dv0 TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 1.018
1w88 TDPPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.982
1w88 TDPPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.982
3zhr TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.915
3zhq TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.904
3zht TD9Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.902
3zhv TDWMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.876
3exh TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.867
3exh TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.867
3zhu TD8Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.864
3exf TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.853
3exf TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.853
1ni4 TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.845
1ni4 TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.845
3zhs TD6Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.843
1umc TDP2-oxoisovalerate dehydrogenase subunit alpha 1.2.4.4 0.825
1umc TDP2-oxoisovalerate dehydrogenase subunit beta 1.2.4.4 0.825
2q5q TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.791
2j9f THV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.787
2j9f THV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial 1.2.4.4 0.787
3ey9 TDPPyruvate dehydrogenase [ubiquinone] 1.2.5.1 0.773
2q5o TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.771
2o1x TDP1-deoxy-D-xylulose-5-phosphate synthase 2.2.1.7 0.760
3upt TPPTransketolase / 0.760
3duf R1TPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.756
3duf R1TPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.756
5ahk TPPAcetolactate synthase II, large subunit / 0.747
2r8o T5XTransketolase 1 / 0.746
2ag0 TPPBenzaldehyde lyase / 0.739
2r5n TPPTransketolase 1 / 0.739
4qpz TPPBenzaldehyde lyase / 0.738
5ej9 TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.728
2qta TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.726
5eja TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.726
1tkc M6TTransketolase 1 2.2.1.1 0.724
1ols TDP2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.721
1v11 TDP2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.721
1trk TPPTransketolase 1 2.2.1.1 0.720
3eya TDPPyruvate dehydrogenase [ubiquinone] 1.2.5.1 0.720
1rp7 TZDPyruvate dehydrogenase E1 component 1.2.4.1 0.718
3lq4 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.715
1gpu THDTransketolase 1 2.2.1.1 0.713
2jlc TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.713
4k9o TPPBenzoylformate decarboxylase 4.1.1.7 0.711
1l8a TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.710
3ahj TPPProbable phosphoketolase / 0.710
5ej7 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.710
1itz TPPTransketolase, chloroplastic 2.2.1.1 0.709
3lq2 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.708
3d7k D7KBenzaldehyde lyase / 0.699
2iea TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.698
2uz1 TPPBenzaldehyde lyase / 0.697
2jla TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.694
5ej4 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.691
5dgt TZDBenzoylformate decarboxylase 4.1.1.7 0.690
1upa TPPN(2)-(2-carboxyethyl)arginine synthase / 0.687
1ngs TPPTransketolase 1 2.2.1.1 0.684
4k9p TPPBenzoylformate decarboxylase 4.1.1.7 0.683
5ej8 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.681
2x7j TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.677
2o1s TDP1-deoxy-D-xylulose-5-phosphate synthase 2.2.1.7 0.675
3ahe THDProbable phosphoketolase / 0.675
2ihu TP9N(2)-(2-carboxyethyl)arginine synthase / 0.674
4cok TPPPyruvate decarboxylase / 0.673
2qtc TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.671
3fzn D7KBenzoylformate decarboxylase 4.1.1.7 0.671
5ej6 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.670
5ej5 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.669
1upc TPPN(2)-(2-carboxyethyl)arginine synthase / 0.668
2g25 TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.667
2ag1 TPPBenzaldehyde lyase / 0.666
4juf TPPBenzoylformate decarboxylase 4.1.1.7 0.666
5esd TDP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.666
1uqu UPGTrehalose-6-phosphate synthase 2.4.1.15 0.665
4c7x TPPTransketolase / 0.665
2g28 TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.664
1t9a YF4Acetolactate synthase catalytic subunit, mitochondrial 2.2.1.6 0.663
2pan TDPGlyoxylate carboligase 4.1.1.47 0.663
2r8p T6FTransketolase 1 / 0.663
4k9n TZDBenzoylformate decarboxylase 4.1.1.7 0.662
5eso TDP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.662
1ay0 TPPTransketolase 1 2.2.1.1 0.660
2npi ATPmRNA cleavage and polyadenylation factor CLP1 / 0.659
1jsc TPPAcetolactate synthase catalytic subunit, mitochondrial 2.2.1.6 0.658
2iht TPPN(2)-(2-carboxyethyl)arginine synthase / 0.658
2ji9 TPWOxalyl-CoA decarboxylase 4.1.1.8 0.657
2pda TPPPyruvate synthase / 0.657
4gg1 TZDBenzoylformate decarboxylase 4.1.1.7 0.656
2fwn TDPBenzoylformate decarboxylase 4.1.1.7 0.655
2vk4 TPPPyruvate decarboxylase 4.1.1.1 0.655
2c31 TZDOxalyl-CoA decarboxylase 4.1.1.8 0.654
4gm0 TZDBenzoylformate decarboxylase 4.1.1.7 0.653
2vk8 TPPPyruvate decarboxylase isozyme 1 / 0.652
2c3y HTLPyruvate synthase / 0.651
1g4p FQPThiamine-phosphate synthase / 0.650
4ju8 TZDBenzoylformate decarboxylase 4.1.1.7 0.650