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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
1gpu THD Transketolase 1 2.2.1.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
1gpu THDTransketolase 1 2.2.1.1 1.245
3upt TPPTransketolase / 1.052
1itz TPPTransketolase, chloroplastic 2.2.1.1 1.029
2r8p T6FTransketolase 1 / 0.976
2r8o T5XTransketolase 1 / 0.943
2r5n TPPTransketolase 1 / 0.917
1trk TPPTransketolase 1 2.2.1.1 0.914
3rim TPPTransketolase 2.2.1.1 0.888
3m7i TPPTransketolase / 0.878
1tkb N1TTransketolase 1 2.2.1.1 0.872
1ngs TPPTransketolase 1 2.2.1.1 0.862
1ay0 TPPTransketolase 1 2.2.1.1 0.855
3m34 TPPTransketolase / 0.851
1tkc M6TTransketolase 1 2.2.1.1 0.824
1tka N3TTransketolase 1 2.2.1.1 0.816
2j9f THV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.774
2j9f THV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial 1.2.4.4 0.774
3lq4 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.769
3dv0 TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.766
3dv0 TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.766
4c7x TPPTransketolase / 0.751
4k9o TPPBenzoylformate decarboxylase 4.1.1.7 0.730
3m6l TPPTransketolase / 0.727
1w88 TDPPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.726
1w88 TDPPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.726
1y9d TPPPyruvate oxidase 1.2.3.3 0.725
4jub TPPBenzoylformate decarboxylase 4.1.1.7 0.724
4k9n TZDBenzoylformate decarboxylase 4.1.1.7 0.723
1umc TDP2-oxoisovalerate dehydrogenase subunit alpha 1.2.4.4 0.722
1umc TDP2-oxoisovalerate dehydrogenase subunit beta 1.2.4.4 0.722
1ols TDP2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.720
5ahk TPPAcetolactate synthase II, large subunit / 0.718
2q5o TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.717
3fzn D7KBenzoylformate decarboxylase 4.1.1.7 0.715
4ju8 TZDBenzoylformate decarboxylase 4.1.1.7 0.715
4juc TPPBenzoylformate decarboxylase 4.1.1.7 0.715
2q5q TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.714
3dva TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.713
3dva TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.713
4mzx TZDBenzoylformate decarboxylase 4.1.1.7 0.710
3zhr TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.707
2o1s TDP1-deoxy-D-xylulose-5-phosphate synthase 2.2.1.7 0.703
1po7 TZDBenzoylformate decarboxylase 4.1.1.7 0.700
4mpr TPPBenzoylformate decarboxylase 4.1.1.7 0.700
3zhv TDWMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.699
4mpp TZDBenzoylformate decarboxylase 4.1.1.7 0.694
2ez9 TDKPyruvate oxidase 1.2.3.3 0.692
3lq2 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.692
3zhs TD6Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.692
2o1x TDP1-deoxy-D-xylulose-5-phosphate synthase 2.2.1.7 0.691
4ju9 TZDBenzoylformate decarboxylase 4.1.1.7 0.691
5dgt TZDBenzoylformate decarboxylase 4.1.1.7 0.691
3zhu TD8Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.690
4k9p TPPBenzoylformate decarboxylase 4.1.1.7 0.688
1mcz TDPBenzoylformate decarboxylase 4.1.1.7 0.687
2ezt TDMPyruvate oxidase 1.2.3.3 0.687
3duf R1TPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.687
3duf R1TPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.687
3zhq TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.686
4juf TPPBenzoylformate decarboxylase 4.1.1.7 0.686
4mq5 TPPBenzoylformate decarboxylase 4.1.1.7 0.686
2ihu TP9N(2)-(2-carboxyethyl)arginine synthase / 0.683
5ej9 TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.683
1pox TPPPyruvate oxidase 1.2.3.3 0.681
3ahe THDProbable phosphoketolase / 0.681
1bfd TPPBenzoylformate decarboxylase 4.1.1.7 0.679
1jsc TPPAcetolactate synthase catalytic subunit, mitochondrial 2.2.1.6 0.679
1ni4 TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.679
1ni4 TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.679
2jlc TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.679
2fwn TDPBenzoylformate decarboxylase 4.1.1.7 0.678
2x7j TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.677
1ovm TPPIndole-3-pyruvate decarboxylase 4.1.1.74 0.676
2v3w TPPBenzoylformate decarboxylase 4.1.1.7 0.675
3exf TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.675
3exf TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.675
3ey9 TDPPyruvate dehydrogenase [ubiquinone] 1.2.5.1 0.674
3exh TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.673
3exh TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.673
1t9a YF4Acetolactate synthase catalytic subunit, mitochondrial 2.2.1.6 0.672
4qel TZDBenzoylformate decarboxylase 4.1.1.7 0.672
5eso TDP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.672
2jla TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.671
5eja TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.669
1upc TPPN(2)-(2-carboxyethyl)arginine synthase / 0.668
2qta TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.668
4gm4 TZDBenzoylformate decarboxylase 4.1.1.7 0.668
4jd5 TZDBenzoylformate decarboxylase 4.1.1.7 0.666
5ej6 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.665
2iea TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.664
3zht TD9Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.662
3iae D7KBenzaldehyde lyase / 0.661
2uz1 TPPBenzaldehyde lyase / 0.660
1l8a TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.658
3oe1 TDLPyruvate decarboxylase 4.1.1.1 0.656
1rp7 TZDPyruvate dehydrogenase E1 component 1.2.4.1 0.655
2w93 TPPPyruvate decarboxylase isozyme 1 / 0.654
3fsj D7KBenzoylformate decarboxylase 4.1.1.7 0.654
3eya TDPPyruvate dehydrogenase [ubiquinone] 1.2.5.1 0.653
1qpb TPPPyruvate decarboxylase isozyme 1 / 0.652
5ej4 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.652
1upb TPPN(2)-(2-carboxyethyl)arginine synthase / 0.651
2iht TPPN(2)-(2-carboxyethyl)arginine synthase / 0.651
5esd TDP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.650