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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
2r8o T5X Transketolase 1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2r8o T5XTransketolase 1 / 1.537
2r8p T6FTransketolase 1 / 1.396
1itz TPPTransketolase, chloroplastic 2.2.1.1 1.017
3upt TPPTransketolase / 1.003
1gpu THDTransketolase 1 2.2.1.1 0.943
2r5n TPPTransketolase 1 / 0.943
3m7i TPPTransketolase / 0.891
3rim TPPTransketolase 2.2.1.1 0.884
1tkc M6TTransketolase 1 2.2.1.1 0.862
1trk TPPTransketolase 1 2.2.1.1 0.852
1ngs TPPTransketolase 1 2.2.1.1 0.842
3m34 TPPTransketolase / 0.828
2j9f THV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.820
2j9f THV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial 1.2.4.4 0.820
1ay0 TPPTransketolase 1 2.2.1.1 0.814
4c7x TPPTransketolase / 0.795
3dv0 TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.786
3dv0 TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.786
3m6l TPPTransketolase / 0.785
1w88 TDPPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.779
1w88 TDPPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.779
2g25 TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.769
1tkb N1TTransketolase 1 2.2.1.1 0.768
2q5q TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.764
5ahk TPPAcetolactate synthase II, large subunit / 0.762
2g28 TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.759
2jlc TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.756
3zhu TD8Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.755
3ahi HTLProbable phosphoketolase / 0.754
5ej7 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.752
2x7j TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.751
5eja TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.750
1umc TDP2-oxoisovalerate dehydrogenase subunit alpha 1.2.4.4 0.749
1umc TDP2-oxoisovalerate dehydrogenase subunit beta 1.2.4.4 0.749
5ej8 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.749
1l8a TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.748
3lq2 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.748
3zhs TD6Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.748
4mpr TPPBenzoylformate decarboxylase 4.1.1.7 0.748
1ols TDP2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.747
3dva TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.746
3dva TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.746
3zht TD9Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.745
1jsc TPPAcetolactate synthase catalytic subunit, mitochondrial 2.2.1.6 0.744
5ej4 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.743
3ahe THDProbable phosphoketolase / 0.738
5ej9 TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.738
4ju8 TZDBenzoylformate decarboxylase 4.1.1.7 0.737
3zhq TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.733
4juc TPPBenzoylformate decarboxylase 4.1.1.7 0.733
4k9o TPPBenzoylformate decarboxylase 4.1.1.7 0.733
3zhv TDWMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.731
1ni4 TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.729
1ni4 TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.729
2jla TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.726
3lq4 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.726
1rp7 TZDPyruvate dehydrogenase E1 component 1.2.4.1 0.722
3fzn D7KBenzoylformate decarboxylase 4.1.1.7 0.721
4mpp TZDBenzoylformate decarboxylase 4.1.1.7 0.719
4jub TPPBenzoylformate decarboxylase 4.1.1.7 0.718
3ey9 TDPPyruvate dehydrogenase [ubiquinone] 1.2.5.1 0.717
5ej5 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.717
1v11 TDP2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.716
2ez9 TDKPyruvate oxidase 1.2.3.3 0.716
3exh TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.716
3exh TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.716
1bfd TPPBenzoylformate decarboxylase 4.1.1.7 0.715
1tka N3TTransketolase 1 2.2.1.1 0.715
4mzx TZDBenzoylformate decarboxylase 4.1.1.7 0.715
3zhr TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.714
5esd TDP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.714
2q5o TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.713
4k9n TZDBenzoylformate decarboxylase 4.1.1.7 0.713
1po7 TZDBenzoylformate decarboxylase 4.1.1.7 0.711
4k9p TPPBenzoylformate decarboxylase 4.1.1.7 0.709
2ezt TDMPyruvate oxidase 1.2.3.3 0.708
5eso TDP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.708
4qel TZDBenzoylformate decarboxylase 4.1.1.7 0.706
1mcz TDPBenzoylformate decarboxylase 4.1.1.7 0.705
2iea TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.704
1y9d TPPPyruvate oxidase 1.2.3.3 0.703
3ahj TPPProbable phosphoketolase / 0.702
4juf TPPBenzoylformate decarboxylase 4.1.1.7 0.702
4mq5 TPPBenzoylformate decarboxylase 4.1.1.7 0.702
4ju9 TZDBenzoylformate decarboxylase 4.1.1.7 0.701
3fsj D7KBenzoylformate decarboxylase 4.1.1.7 0.700
5dgt TZDBenzoylformate decarboxylase 4.1.1.7 0.700
2vk8 TPPPyruvate decarboxylase isozyme 1 / 0.696
4gm1 TZDBenzoylformate decarboxylase 4.1.1.7 0.696
2fwn TDPBenzoylformate decarboxylase 4.1.1.7 0.694
4cok TPPPyruvate decarboxylase / 0.694
1pox TPPPyruvate oxidase 1.2.3.3 0.691
3eya TDPPyruvate dehydrogenase [ubiquinone] 1.2.5.1 0.691
3oe1 TDLPyruvate decarboxylase 4.1.1.1 0.689
5ej6 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.684
2qta TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.682
2uz1 TPPBenzaldehyde lyase / 0.681
2w93 TPPPyruvate decarboxylase isozyme 1 / 0.681
3duf R1TPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.681
3duf R1TPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.681
2qtc TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.674
1upc TPPN(2)-(2-carboxyethyl)arginine synthase / 0.673
4jd5 TZDBenzoylformate decarboxylase 4.1.1.7 0.667
1pyd TDPPyruvate decarboxylase isozyme 1 / 0.666
2ji9 TPWOxalyl-CoA decarboxylase 4.1.1.8 0.665
3hwx TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.665
1ovm TPPIndole-3-pyruvate decarboxylase 4.1.1.74 0.663
3iae D7KBenzaldehyde lyase / 0.659
2c31 TZDOxalyl-CoA decarboxylase 4.1.1.8 0.657
4gm4 TZDBenzoylformate decarboxylase 4.1.1.7 0.653
2v3w TPPBenzoylformate decarboxylase 4.1.1.7 0.651