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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
3ahe THD Probable phosphoketolase

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
3ahe THDProbable phosphoketolase / 1.188
3ahi HTLProbable phosphoketolase / 1.143
3ahj TPPProbable phosphoketolase / 1.085
2qta TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.843
2g28 TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.826
2g25 TDKPyruvate dehydrogenase E1 component 1.2.4.1 0.820
1v11 TDP2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.803
1rp7 TZDPyruvate dehydrogenase E1 component 1.2.4.1 0.802
1l8a TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.801
3zhu TD8Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.774
2j9f THV2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.772
2j9f THV2-oxoisovalerate dehydrogenase subunit beta, mitochondrial 1.2.4.4 0.772
2o1s TDP1-deoxy-D-xylulose-5-phosphate synthase 2.2.1.7 0.764
2jlc TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.756
3lq2 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.753
3exh TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.751
3exh TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.751
1jsc TPPAcetolactate synthase catalytic subunit, mitochondrial 2.2.1.6 0.749
4k9o TPPBenzoylformate decarboxylase 4.1.1.7 0.748
3zht TD9Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.747
4k9n TZDBenzoylformate decarboxylase 4.1.1.7 0.747
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
2r8o T5XTransketolase 1 / 0.738
2q5q TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.737
1y9d TPPPyruvate oxidase 1.2.3.3 0.736
3dv0 TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.734
3dv0 TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.734
4mpr TPPBenzoylformate decarboxylase 4.1.1.7 0.722
1itz TPPTransketolase, chloroplastic 2.2.1.1 0.721
5ej9 TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.721
1ni4 TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.720
1ni4 TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.720
3zhr TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.720
3zhv TDWMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.719
3zhs TD6Multifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.717
3zhq TPPMultifunctional 2-oxoglutarate metabolism enzyme 1.2.4.2 0.716
1ols TDP2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial 1.2.4.4 0.714
2iea TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.713
2vk8 TPPPyruvate decarboxylase isozyme 1 / 0.711
4ju8 TZDBenzoylformate decarboxylase 4.1.1.7 0.709
4gm4 TZDBenzoylformate decarboxylase 4.1.1.7 0.708
4k9p TPPBenzoylformate decarboxylase 4.1.1.7 0.706
2v3w TPPBenzoylformate decarboxylase 4.1.1.7 0.705
3lq4 TDPPyruvate dehydrogenase E1 component 1.2.4.1 0.704
4gm1 TZDBenzoylformate decarboxylase 4.1.1.7 0.704
2vk4 TPPPyruvate decarboxylase 4.1.1.1 0.700
1pox TPPPyruvate oxidase 1.2.3.3 0.699
4qel TZDBenzoylformate decarboxylase 4.1.1.7 0.696
1po7 TZDBenzoylformate decarboxylase 4.1.1.7 0.695
4juc TPPBenzoylformate decarboxylase 4.1.1.7 0.695
5dgt TZDBenzoylformate decarboxylase 4.1.1.7 0.695
2w93 TPPPyruvate decarboxylase isozyme 1 / 0.691
1umc TDP2-oxoisovalerate dehydrogenase subunit alpha 1.2.4.4 0.690
1umc TDP2-oxoisovalerate dehydrogenase subunit beta 1.2.4.4 0.690
4ju9 TZDBenzoylformate decarboxylase 4.1.1.7 0.690
1pyd TDPPyruvate decarboxylase isozyme 1 / 0.689
2jla TPP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.687
3m7i TPPTransketolase / 0.687
3upt TPPTransketolase / 0.686
2fwn TDPBenzoylformate decarboxylase 4.1.1.7 0.685
2r8p T6FTransketolase 1 / 0.685
5ej7 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.683
1gpu THDTransketolase 1 2.2.1.1 0.681
1pow TPPPyruvate oxidase 1.2.3.3 0.679
1qpb TPPPyruvate decarboxylase isozyme 1 / 0.679
5esd TDP2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.679
5ahk TPPAcetolactate synthase II, large subunit / 0.678
1ovm TPPIndole-3-pyruvate decarboxylase 4.1.1.74 0.677
3m34 TPPTransketolase / 0.677
4juf TPPBenzoylformate decarboxylase 4.1.1.7 0.676
3dva TPWPyruvate dehydrogenase E1 component subunit alpha 1.2.4.1 0.675
3dva TPWPyruvate dehydrogenase E1 component subunit beta 1.2.4.1 0.675
4mpp TZDBenzoylformate decarboxylase 4.1.1.7 0.675
4jub TPPBenzoylformate decarboxylase 4.1.1.7 0.674
1zm7 TTPDeoxynucleoside kinase / 0.673
5ej8 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.673
1bfd TPPBenzoylformate decarboxylase 4.1.1.7 0.672
1ngs TPPTransketolase 1 2.2.1.1 0.672
4mzx TZDBenzoylformate decarboxylase 4.1.1.7 0.672
3fzn D7KBenzoylformate decarboxylase 4.1.1.7 0.669
1upc TPPN(2)-(2-carboxyethyl)arginine synthase / 0.668
1n2e APCPantothenate synthetase 6.3.2.1 0.667
2ez9 TDKPyruvate oxidase 1.2.3.3 0.666
1tkc M6TTransketolase 1 2.2.1.1 0.665
4qpz TPPBenzaldehyde lyase / 0.663
1ay0 TPPTransketolase 1 2.2.1.1 0.662
5ej4 TD62-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase / 0.662
4gg1 TZDBenzoylformate decarboxylase 4.1.1.7 0.661
1mcz TDPBenzoylformate decarboxylase 4.1.1.7 0.660
2o1x TDP1-deoxy-D-xylulose-5-phosphate synthase 2.2.1.7 0.659
2q5o TPWIndole-3-pyruvate decarboxylase 4.1.1.74 0.659
4cok TPPPyruvate decarboxylase / 0.659
4mq5 TPPBenzoylformate decarboxylase 4.1.1.7 0.659
1rqj RISFarnesyl diphosphate synthase 2.5.1.10 0.657
3m6l TPPTransketolase / 0.656
3v2u ATPProtein GAL3 / 0.656
2ezt TDMPyruvate oxidase 1.2.3.3 0.655
2ji7 OXTOxalyl-CoA decarboxylase 4.1.1.8 0.655
3n0z 3ATAdenylate cyclase 2 / 0.655
1upa TPPN(2)-(2-carboxyethyl)arginine synthase / 0.654
3exf TPPPyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial 1.2.4.1 0.654
3exf TPPPyruvate dehydrogenase E1 component subunit beta, mitochondrial 1.2.4.1 0.654
3iae D7KBenzaldehyde lyase / 0.654
1kek HTLPyruvate synthase / 0.653
2oo7 AP5Adenylate kinase / 0.651
4rwn APC2'-5'-oligoadenylate synthase 1 2.7.7.84 0.651
1nhh ANPDNA mismatch repair protein MutL / 0.650