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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
2ivi ACW Isopenicillin N synthase 1.21.3.1

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2ivi ACWIsopenicillin N synthase 1.21.3.1 1.066
1bk0 ACVIsopenicillin N synthase 1.21.3.1 1.044
1hb1 OCVIsopenicillin N synthase 1.21.3.1 1.013
3zoi M2WIsopenicillin N synthase 1.21.3.1 0.998
1obn ASVIsopenicillin N synthase 1.21.3.1 0.987
1blz ACVIsopenicillin N synthase 1.21.3.1 0.963
2y60 M8FIsopenicillin N synthase 1.21.3.1 0.948
1qiq ACCIsopenicillin N synthase 1.21.3.1 0.923
2y6f M9FIsopenicillin N synthase 1.21.3.1 0.913
1hb3 SCVIsopenicillin N synthase 1.21.3.1 0.903
1w06 W05Isopenicillin N synthase 1.21.3.1 0.891
1uzw CDHIsopenicillin N synthase 1.21.3.1 0.880
2jb4 A14Isopenicillin N synthase 1.21.3.1 0.873
1qjf ACSIsopenicillin N synthase 1.21.3.1 0.870
2wo7 ASVIsopenicillin N synthase 1.21.3.1 0.860
2vbd V10Isopenicillin N synthase 1.21.3.1 0.853
2vcm M11Isopenicillin N synthase 1.21.3.1 0.844
1odn APVIsopenicillin N synthase 1.21.3.1 0.838
2bjs ACVIsopenicillin N synthase 1.21.3.1 0.837
2bu9 HFVIsopenicillin N synthase 1.21.3.1 0.835
2vbp VB1Isopenicillin N synthase 1.21.3.1 0.829
4bb3 KKAIsopenicillin N synthase 1.21.3.1 0.754
1oc1 ASVIsopenicillin N synthase 1.21.3.1 0.733
3lnc 5GPGuanylate kinase / 0.678
4i13 FOLDihydrofolate reductase 1.5.1.3 0.653
2q0l NAPThioredoxin reductase 1.8.1.9 0.651
3och 2MXDihydrofolate reductase 1.5.1.3 0.651