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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
2wez ZYE Beta-secretase 1 3.4.23.46

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity		 Align
2wez ZYEBeta-secretase 1 3.4.23.46 1.245
2wf0 ZY0Beta-secretase 1 3.4.23.46 1.172
2vj7 VG6Beta-secretase 1 3.4.23.46 1.163
2xfj VG5Beta-secretase 1 3.4.23.46 1.125
2vj6 VG5Beta-secretase 1 3.4.23.46 1.121
2viz VG4Beta-secretase 1 3.4.23.46 1.110
2wf2 ZY2Beta-secretase 1 3.4.23.46 1.109
2wf1 ZY1Beta-secretase 1 3.4.23.46 1.108
2vnm CM8Beta-secretase 1 3.4.23.46 1.103
2vj9 VG7Beta-secretase 1 3.4.23.46 1.089
2wf3 ZY3Beta-secretase 1 3.4.23.46 1.081
2vnn CM7Beta-secretase 1 3.4.23.46 1.078
2vie VG0Beta-secretase 1 3.4.23.46 1.063
2vij C44Beta-secretase 1 3.4.23.46 1.058
2xfk AA9Beta-secretase 1 3.4.23.46 1.038
2viy VG3Beta-secretase 1 3.4.23.46 1.022
2xfi XFIBeta-secretase 1 3.4.23.46 1.014
4fco 0U4Beta-secretase 1 3.4.23.46 1.011
2b8l 5HABeta-secretase 1 3.4.23.46 0.998
2wf4 ZY4Beta-secretase 1 3.4.23.46 0.995
2b8v 3BNBeta-secretase 1 3.4.23.46 0.942
2p8h MY9Beta-secretase 1 3.4.23.46 0.926
4k9h 1QUBeta-secretase 1 3.4.23.46 0.918
4dpf 0LGBeta-secretase 1 3.4.23.46 0.906
2qzl IXSBeta-secretase 1 3.4.23.46 0.887
4dpi 0N1Beta-secretase 1 3.4.23.46 0.883
3k5g BJCBeta-secretase 1 3.4.23.46 0.874
4ewo 996Beta-secretase 1 3.4.23.46 0.871
3veu 0GOBeta-secretase 1 3.4.23.46 0.869
2vkm BSDBeta-secretase 1 3.4.23.46 0.866
3ohf 3HFBeta-secretase 1 3.4.23.46 0.852
4gid 0GHBeta-secretase 1 3.4.23.46 0.851
3i25 MV7Beta-secretase 1 3.4.23.46 0.850
4exg 916Beta-secretase 1 3.4.23.46 0.843
3dv5 BAVBeta-secretase 1 3.4.23.46 0.834
3ohh 3HHBeta-secretase 1 3.4.23.46 0.828
3k5c 0BIBeta-secretase 1 3.4.23.46 0.825
3nsh 957Beta-secretase 1 3.4.23.46 0.825
4i0i 957Beta-secretase 1 3.4.23.46 0.825
2hiz LIJBeta-secretase 1 3.4.23.46 0.820
3qi1 C6ABeta-secretase 1 3.4.23.46 0.811
3r2f PB0Beta-secretase 1 3.4.23.46 0.809
3dm6 757Beta-secretase 1 3.4.23.46 0.806
3k5f AYHBeta-secretase 1 3.4.23.46 0.799
4ke1 1R6Beta-secretase 1 3.4.23.46 0.792
2p83 MR0Beta-secretase 1 3.4.23.46 0.788
2fdp FRPBeta-secretase 1 3.4.23.46 0.783
3ixk 929Beta-secretase 1 3.4.23.46 0.779
4k8s 1QTBeta-secretase 1 3.4.23.46 0.776
3lpj Z75Beta-secretase 1 3.4.23.46 0.772
3pi5 3P5Beta-secretase 1 3.4.23.46 0.767
4ke0 1R8Beta-secretase 1 3.4.23.46 0.767
3cic 316Beta-secretase 1 3.4.23.46 0.759
3cib 314Beta-secretase 1 3.4.23.46 0.751
3qbh QBHBeta-secretase 1 3.4.23.46 0.751
3cid 318Beta-secretase 1 3.4.23.46 0.744
3tpr 5HABeta-secretase 1 3.4.23.46 0.742
2f3f AXFBeta-secretase 1 3.4.23.46 0.729
4dus 0MPBeta-secretase 1 3.4.23.46 0.729
3dv1 AR9Beta-secretase 1 3.4.23.46 0.720
3vg1 0GTBeta-secretase 1 3.4.23.46 0.713
3pww ROCEndothiapepsin 3.4.23.22 0.709
4lxk 1YTBeta-secretase 1 3.4.23.46 0.706
2f3e AXQBeta-secretase 1 3.4.23.46 0.703
3n4l 842Beta-secretase 1 3.4.23.46 0.698
3lpi Z74Beta-secretase 1 3.4.23.46 0.696
3lpk Z76Beta-secretase 1 3.4.23.46 0.695
2p4j 23IBeta-secretase 1 3.4.23.46 0.694
3vf3 0GSBeta-secretase 1 3.4.23.46 0.688
1gvv 0GMEndothiapepsin 3.4.23.22 0.681
2ntr L00Beta-secretase 1 3.4.23.46 0.681
3duy AFJBeta-secretase 1 3.4.23.46 0.679
1ppk IVVPenicillopepsin-1 3.4.23.20 0.673
2hm1 LIQBeta-secretase 1 3.4.23.46 0.667
3k5d XLIBeta-secretase 1 3.4.23.46 0.667
2ph6 712Beta-secretase 1 3.4.23.46 0.664
3ixj 586Beta-secretase 1 3.4.23.46 0.664
2iqg F2IBeta-secretase 1 3.4.23.46 0.659
1zsr 0ZTGag-Pol polyprotein 3.4.23.16 0.658
1b6p PI7Gag-Pol polyprotein 3.4.23.16 0.657
1w6h TITPlasmepsin-2 3.4.23.39 0.657
3dcr KVSProtease / 0.657
1w51 L01Beta-secretase 1 3.4.23.46 0.652