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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
4k8s 1QT Beta-secretase 1 3.4.23.46

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
4k8s 1QTBeta-secretase 1 3.4.23.46 1.227
4ke0 1R8Beta-secretase 1 3.4.23.46 1.073
4ke1 1R6Beta-secretase 1 3.4.23.46 0.977
3k5c 0BIBeta-secretase 1 3.4.23.46 0.964
3qi1 C6ABeta-secretase 1 3.4.23.46 0.936
4dus 0MPBeta-secretase 1 3.4.23.46 0.932
4exg 916Beta-secretase 1 3.4.23.46 0.905
4ewo 996Beta-secretase 1 3.4.23.46 0.889
4i0h 1BLBeta-secretase 1 3.4.23.46 0.871
2xfi XFIBeta-secretase 1 3.4.23.46 0.870
2xfj VG5Beta-secretase 1 3.4.23.46 0.867
3cic 316Beta-secretase 1 3.4.23.46 0.863
3nsh 957Beta-secretase 1 3.4.23.46 0.860
4i0i 957Beta-secretase 1 3.4.23.46 0.860
4dh6 0KNBeta-secretase 1 3.4.23.46 0.859
3cib 314Beta-secretase 1 3.4.23.46 0.857
4i0j 842Beta-secretase 1 3.4.23.46 0.856
2xfk AA9Beta-secretase 1 3.4.23.46 0.852
2vj6 VG5Beta-secretase 1 3.4.23.46 0.844
2wf2 ZY2Beta-secretase 1 3.4.23.46 0.837
3veu 0GOBeta-secretase 1 3.4.23.46 0.834
3lpj Z75Beta-secretase 1 3.4.23.46 0.830
2p8h MY9Beta-secretase 1 3.4.23.46 0.828
2vij C44Beta-secretase 1 3.4.23.46 0.827
2wf0 ZY0Beta-secretase 1 3.4.23.46 0.825
2iqg F2IBeta-secretase 1 3.4.23.46 0.824
2wf1 ZY1Beta-secretase 1 3.4.23.46 0.823
2viy VG3Beta-secretase 1 3.4.23.46 0.822
2vnm CM8Beta-secretase 1 3.4.23.46 0.822
2vj7 VG6Beta-secretase 1 3.4.23.46 0.818
2b8l 5HABeta-secretase 1 3.4.23.46 0.817
2vie VG0Beta-secretase 1 3.4.23.46 0.815
3r2f PB0Beta-secretase 1 3.4.23.46 0.808
3n4l 842Beta-secretase 1 3.4.23.46 0.807
2p83 MR0Beta-secretase 1 3.4.23.46 0.805
3ohh 3HHBeta-secretase 1 3.4.23.46 0.798
3cid 318Beta-secretase 1 3.4.23.46 0.793
4dpf 0LGBeta-secretase 1 3.4.23.46 0.785
4lxa 1YSBeta-secretase 1 3.4.23.46 0.785
4dpi 0N1Beta-secretase 1 3.4.23.46 0.784
2wez ZYEBeta-secretase 1 3.4.23.46 0.776
2b8v 3BNBeta-secretase 1 3.4.23.46 0.770
2wf4 ZY4Beta-secretase 1 3.4.23.46 0.766
3ohf 3HFBeta-secretase 1 3.4.23.46 0.764
3pi5 3P5Beta-secretase 1 3.4.23.46 0.758
3qbh QBHBeta-secretase 1 3.4.23.46 0.753
1g7u PEP2-dehydro-3-deoxyphosphooctonate aldolase 2.5.1.55 0.744
4e5i 0N9Polymerase acidic protein / 0.744
2viz VG4Beta-secretase 1 3.4.23.46 0.741
3vf3 0GSBeta-secretase 1 3.4.23.46 0.740
3pww ROCEndothiapepsin 3.4.23.22 0.738
4d89 BXDBeta-secretase 1 3.4.23.46 0.735
1w51 L01Beta-secretase 1 3.4.23.46 0.723
3k5g BJCBeta-secretase 1 3.4.23.46 0.722
3lpk Z76Beta-secretase 1 3.4.23.46 0.722
2vj9 VG7Beta-secretase 1 3.4.23.46 0.720
3tpr 5HABeta-secretase 1 3.4.23.46 0.719
3lpi Z74Beta-secretase 1 3.4.23.46 0.708
2vkm BSDBeta-secretase 1 3.4.23.46 0.705
1e80 0GQEndothiapepsin 3.4.23.22 0.702
1gvv 0GMEndothiapepsin 3.4.23.22 0.700
3i25 MV7Beta-secretase 1 3.4.23.46 0.698
3ixj 586Beta-secretase 1 3.4.23.46 0.697
4lxm 1YUBeta-secretase 1 3.4.23.46 0.697
3dm6 757Beta-secretase 1 3.4.23.46 0.696
1b6p PI7Gag-Pol polyprotein 3.4.23.16 0.695
2hiz LIJBeta-secretase 1 3.4.23.46 0.687
2wf3 ZY3Beta-secretase 1 3.4.23.46 0.684
3own 3OXRenin 3.4.23.15 0.683
2f3f AXFBeta-secretase 1 3.4.23.46 0.682
2jji 0QSEndothiapepsin 3.4.23.22 0.681
3k5f AYHBeta-secretase 1 3.4.23.46 0.679
3duy AFJBeta-secretase 1 3.4.23.46 0.677
3dv1 AR9Beta-secretase 1 3.4.23.46 0.675
2vnn CM7Beta-secretase 1 3.4.23.46 0.674
3vg1 0GTBeta-secretase 1 3.4.23.46 0.671
4fco 0U4Beta-secretase 1 3.4.23.46 0.671
1gvw 0EMEndothiapepsin 3.4.23.22 0.660
2oah QINBeta-secretase 1 3.4.23.46 0.660
4e5f 0N7Polymerase acidic protein / 0.660
3k5d XLIBeta-secretase 1 3.4.23.46 0.657
4k9h 1QUBeta-secretase 1 3.4.23.46 0.657
4lxk 1YTBeta-secretase 1 3.4.23.46 0.655
2g94 ZPQBeta-secretase 1 3.4.23.46 0.651