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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
1trk TPP Transketolase 1 2.2.1.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1trk TPPTransketolase 1 2.2.1.1 1.179
1itz TPPTransketolase, chloroplastic 2.2.1.1 0.951
2r5n TPPTransketolase 1 / 0.933
3upt TPPTransketolase / 0.921
2r8p T6FTransketolase 1 / 0.919
1gpu THDTransketolase 1 2.2.1.1 0.914
1tkc M6TTransketolase 1 2.2.1.1 0.894
1tkb N1TTransketolase 1 2.2.1.1 0.891
3rim TPPTransketolase 2.2.1.1 0.889
3m7i TPPTransketolase / 0.875
1ngs TPPTransketolase 1 2.2.1.1 0.865
2r8o T5XTransketolase 1 / 0.852
1ay0 TPPTransketolase 1 2.2.1.1 0.846
1tka N3TTransketolase 1 2.2.1.1 0.846
3m6l TPPTransketolase / 0.829
3m34 TPPTransketolase / 0.796
2j9f THV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.778
2j9f THV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial 1.2.4.4 0.778
1w88 TDPPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.745
1w88 TDPPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.745
2g25 TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.745
3dv0 TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.744
3dv0 TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.744
3dva TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.720
3dva TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.720
4c7x TPPTransketolase / 0.720
1umc TDP2-oxoisovalerate dehydrogenase subunit alpha 1.2.4.4 0.718
1umc TDP2-oxoisovalerate dehydrogenase subunit beta 1.2.4.4 0.718
3zhs TD6Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.717
5ahk TPPAcetolactate synthase II, large subunit / 0.710
4k9o TPPBenzoylformate decarboxylase 4.1.1.7 0.705
4juc TPPBenzoylformate decarboxylase 4.1.1.7 0.702
3lq2 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.701
2q5q TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.700
1ols TDP2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.698
3zhv TDWMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.698
3zht TD9Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.697
3fzn D7KBenzoylformate decarboxylase 4.1.1.7 0.696
3zhq TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.696
3zhr TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.696
1ovm TPPIndole-3-pyruvate decarboxylase 4.1.1.74 0.690
4ju8 TZDBenzoylformate decarboxylase 4.1.1.7 0.690
1bfd TPPBenzoylformate decarboxylase 4.1.1.7 0.689
4cok TPPPyruvate decarboxylase / 0.689
4k9n TZDBenzoylformate decarboxylase 4.1.1.7 0.689
4mq5 TPPBenzoylformate decarboxylase 4.1.1.7 0.689
4ju9 TZDBenzoylformate decarboxylase 4.1.1.7 0.688
1mcz TDPBenzoylformate decarboxylase 4.1.1.7 0.687
1y9d TPPPyruvate oxidase 1.2.3.3 0.687
3lq4 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.687
4mzx TZDBenzoylformate decarboxylase 4.1.1.7 0.687
2jla TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.686
1po7 TZDBenzoylformate decarboxylase 4.1.1.7 0.685
2fwn TDPBenzoylformate decarboxylase 4.1.1.7 0.682
3duf R1TPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.682
3duf R1TPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.682
2q5o TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.681
3zhu TD8Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.681
4k9p TPPBenzoylformate decarboxylase 4.1.1.7 0.681
4mpp TZDBenzoylformate decarboxylase 4.1.1.7 0.681
3exh TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.678
3exh TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.678
4qel TZDBenzoylformate decarboxylase 4.1.1.7 0.673
1v11 TDP2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.672
2o1x TDP1-deoxy-D-xylulose-5-phosphate synthase 2.2.1.7 0.669
2o1s TDP1-deoxy-D-xylulose-5-phosphate synthase 2.2.1.7 0.668
3fsj D7KBenzoylformate decarboxylase 4.1.1.7 0.668
1pyd TDPPyruvate decarboxylase isozyme 1 / 0.665
2qtc TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.662
3d7k D7KBenzaldehyde lyase / 0.661
5ej8 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.661
1pox TPPPyruvate oxidase 1.2.3.3 0.660
5ej6 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.660
3ahi HTLProbable phosphoketolase / 0.659
3exf TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.657
3exf TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.657
1ni4 TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.656
1ni4 TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.656
3eya TDPPyruvate dehydrogenase [ubiquinone] 1.2.5.1 0.656
2vk8 TPPPyruvate decarboxylase isozyme 1 / 0.653
3hwx TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.653