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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
4kb9 G79 Protease

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4kb9 G79Protease / 1.421
4dfg 0JVGag-Pol polyprotein 3.4.23.16 1.244
3st5 G89Gag-Pol polyprotein 3.4.23.16 1.228
4heg G52Gag-Pol polyprotein 3.4.23.16 1.205
3qaa G04Gag-Pol polyprotein 3.4.23.16 1.190
3ok9 G52Gag-Pol polyprotein 3.4.23.16 1.174
3pwm 017Gag-Pol polyprotein 3.4.23.16 1.168
4hdp G52Gag-Pol polyprotein 3.4.23.16 1.167
4hdf G52Gag-Pol polyprotein 3.4.23.16 1.162
2qci 065Gag-Pol polyprotein 3.4.23.16 1.159
4hdb G52Gag-Pol polyprotein 3.4.23.16 1.155
3dk1 G05Gag-Pol polyprotein 3.4.23.16 1.138
2z4o 065Gag-Pol polyprotein 3.4.23.16 1.132
2hb3 GRLProtease / 1.125
2qd8 065Gag-Pol polyprotein 3.4.23.16 1.123
3djk G55Gag-Pol polyprotein 3.4.23.16 1.119
3o9a K14Pol polyprotein / 1.117
2qd6 065Gag-Pol polyprotein 3.4.23.16 1.109
3vf5 031Gag-Pol polyprotein 3.4.23.16 1.096
3vfa 031Gag-Pol polyprotein 3.4.23.16 1.095
3sa9 A68Protease / 1.087
3o9f K2DGag-Pol polyprotein / 1.084
3o9c K20Pol polyprotein / 1.079
3ecg 065Gag-Pol polyprotein 3.4.23.47 1.073
3sab F78Protease / 1.073
2f80 017Gag-Pol polyprotein 3.4.23.16 1.072
3jvy 017Gag-Pol polyprotein 3.4.23.16 1.068
2i4u DJRProtease / 1.067
2fdd 385Pol protein / 1.065
2i0a MUIProtease / 1.065
3sa8 K83Protease / 1.065
3o9h K2EGag-Pol polyprotein / 1.064
4djp M73Pol polyprotein / 1.058
4dqc 017Gag-Pol polyprotein / 1.055
3mws 017Pol protein / 1.054
3r4b 74TGag-Pol polyprotein / 1.052
2f81 017Gag-Pol polyprotein 3.4.23.16 1.051
4djo MK5Pol polyprotein / 1.051
3d20 017Gag-Pol polyprotein 3.4.23.16 1.050
3i6o GR6Gag-Pol polyprotein 3.4.23.16 1.050
3vfb 031Gag-Pol polyprotein 3.4.23.16 1.036
4njs G08Protease / 1.031
3o9b K2APol polyprotein / 1.025
3gi6 D78Gag-Pol polyprotein / 1.021
3oy4 017Gag-Pol polyprotein 3.4.23.16 1.021
3saa 77FProtease / 1.018
3lzs 017Gag-Pol polyprotein 3.4.23.16 1.016
3o9i A61Gag-Pol polyprotein / 1.016
2f8g 017Gag-Pol polyprotein 3.4.23.16 1.015
3o9g F53Gag-Pol polyprotein / 1.015
3sa7 55AProtease / 1.012
2i4v DJRV-1 protease / 1.011
2ieo 017Protease / 1.010
2qi7 MZ9Gag-Pol polyprotein / 1.010
2ien 017Gag-Pol polyprotein 3.4.23.16 1.009
4dqe 017Gag-Pol polyprotein / 1.009
4j54 G52Gag-Pol polyprotein 3.4.23.16 1.009
3mxd K53Gag-Pol polyprotein 3.4.23.16 1.005
3vf7 031Gag-Pol polyprotein 3.4.23.16 1.005
2qi5 MZ7Gag-Pol polyprotein / 1.003
1t3r 017Gag-Pol polyprotein 3.4.23.16 0.999
3ucb 017Gag-Pol polyprotein / 0.998
3ec0 GRLGag-Pol polyprotein 3.4.23.47 0.997
4dqh 017Gag-Pol polyprotein / 0.997
2i4d QFIProtease / 0.994
4ye3 G04Gag-Pol polyprotein 3.4.23.16 0.988
2hs1 017Protease / 0.987
3o9e A60Pol polyprotein / 0.987
4j55 031Gag-Pol polyprotein 3.4.23.16 0.987
2qhy MZ1Gag-Pol polyprotein / 0.982
3o9d K19Pol polyprotein / 0.980
3cyw 017Gag-Pol polyprotein 3.4.23.16 0.977
3gi5 K62Gag-Pol polyprotein / 0.977
4q1w 017Gag-Pol polyprotein 3.4.23.16 0.977
3oxw 017Gag-Pol polyprotein 3.4.23.16 0.973
2i0d MUTProtease / 0.967
4djq M86Pol polyprotein / 0.967
3jw2 017Gag-Pol polyprotein 3.4.23.16 0.961
3d1z 017Gag-Pol polyprotein 3.4.23.16 0.960
3s54 017Protease / 0.959
3lzu 017Gag-Pol polyprotein 3.4.23.16 0.956
3sa3 23XProtease / 0.954
3nu9 478Gag-Pol polyprotein 3.4.23.16 0.951
3mxe K54Gag-Pol polyprotein 3.4.23.16 0.949
3t3c 017Gag-Pol polyprotein 3.4.23.16 0.948
4dqf 017Gag-Pol polyprotein / 0.948
2hs2 017Protease / 0.947
2qi4 MZ6Gag-Pol polyprotein / 0.946
1t7i 017Gag-Pol polyprotein 3.4.23.16 0.944
3em3 478Gag-Pol polyprotein 3.4.23.16 0.943
2i4x KGQProtease / 0.940
2qhz MZ2Gag-Pol polyprotein / 0.939
4dqb 017Gag-Pol polyprotein / 0.937
2psu MUUProtease / 0.935
3nu4 478Gag-Pol polyprotein 3.4.23.16 0.935
2qi0 MZ3Gag-Pol polyprotein / 0.934
3em6 017Gag-Pol polyprotein 3.4.23.16 0.934
3nu6 478Gag-Pol polyprotein 3.4.23.16 0.934
2qd7 065Gag-Pol polyprotein 3.4.23.16 0.926
3gi4 K60Gag-Pol polyprotein / 0.925
3sa5 A69Protease / 0.924
2idw 017Protease / 0.923
3nuo 478Gag-Pol polyprotein 3.4.23.16 0.921
4j5j 478Gag-Pol polyprotein 3.4.23.16 0.921
4i8z G08Gag-Pol polyprotein 3.4.23.16 0.919
3lzv 017Gag-Pol polyprotein 3.4.23.16 0.917
3ekv 478Gag-Pol polyprotein 3.4.23.16 0.915
3i7e DJRGag-Pol polyprotein / 0.911
1z1h HBBGag-Pol polyprotein 3.4.23.16 0.910
4q1y 017Gag-Pol polyprotein 3.4.23.16 0.910
1z1r HBHGag-Pol polyprotein 3.4.23.16 0.909
3eky DR7Gag-Pol polyprotein 3.4.23.16 0.909
3ggu 017Gag-Pol polyprotein 3.4.23.16 0.908
4djr 0KJPol polyprotein / 0.907
4rvj 478Protease / 0.906
3nu3 478Gag-Pol polyprotein 3.4.23.16 0.903
2qi6 MZ8Gag-Pol polyprotein / 0.902
3oxv 478Gag-Pol polyprotein 3.4.23.16 0.899
4q1x 017Gag-Pol polyprotein 3.4.23.16 0.898
3nu5 478Gag-Pol polyprotein 3.4.23.16 0.897
3o99 K13Pol polyprotein / 0.895
2qi3 MZ5Gag-Pol polyprotein / 0.892
1d4l PI9Gag-Pol polyprotein 3.4.23.16 0.882
3nuj 478Gag-Pol polyprotein 3.4.23.16 0.880
2fxe DR7Gag-Pol polyprotein 3.4.23.16 0.879
3sa4 F72Protease / 0.876
3em4 DR7Gag-Pol polyprotein 3.4.23.16 0.870
3sac AF8Protease / 0.868
3s43 478Protease / 0.867
4njt 017Protease / 0.855
3el1 DR7Gag-Pol polyprotein 3.4.23.16 0.854
3kfr 3TLGag-Pol polyprotein / 0.847
3ekt 017Gag-Pol polyprotein 3.4.23.16 0.843
3el9 DR7Gag-Pol polyprotein 3.4.23.16 0.836
3sa6 F71Protease / 0.834
2psv MUVProtease / 0.822
3kfn 3TLGag-Pol polyprotein / 0.822
2a1e IPFGag-Pol polyprotein 3.4.23.16 0.820
2fde 385Gag-Pol polyprotein 3.4.23.16 0.815
3sm2 478Putative gag-pro-pol polyprotein / 0.815
2p3b 3TLV-1 PROTEASE protein / 0.812
2p3b 3TLV-1 protease / 0.812
2aqu DR7Gag-Pol polyprotein 3.4.23.16 0.806
1npv L27Gag-Pol polyprotein 3.4.23.16 0.797
3ttp 017Gag-Pol polyprotein 3.4.23.16 0.794
1yt9 OISGag-Pol polyprotein / 0.785
1pro A88Gag-Pol polyprotein / 0.779
2p3c 3TLProtease / 0.776
2qak 1UNGag-Pol polyprotein 3.4.23.16 0.776
4a4q UX9Pol protein / 0.775
2nmy ROCProtease / 0.774
1npa 3NHGag-Pol polyprotein 3.4.23.16 0.772
1npw LGZGag-Pol polyprotein 3.4.23.16 0.772
1ida 0POGag-Pol polyprotein 3.4.23.47 0.771
3bvb 017Gag-Pol polyprotein 3.4.23.16 0.769
3el4 ROCGag-Pol polyprotein 3.4.23.16 0.769
1izh Q50Protease / 0.767
2p3a 3TLPol protein / 0.766
2q54 MU1Protease / 0.766
2avm 2NCGag-Pol polyprotein 3.4.23.16 0.765
2cem 2AHPol protein / 0.765
3kf0 3TLGag-Pol polyprotein / 0.765
3kfs 3TLGag-Pol polyprotein / 0.764
1hih C20Gag-Pol polyprotein / 0.763
1d4h BEHGag-Pol polyprotein 3.4.23.16 0.760
3oxx DR7Gag-Pol polyprotein 3.4.23.16 0.760
3k4v ROCGag-Pol polyprotein 3.4.23.16 0.757
1ebz BECGag-Pol polyprotein 3.4.23.16 0.756
2bb9 AKCGag-Pol polyprotein 3.4.23.16 0.754
2avs MK1Gag-Pol polyprotein 3.4.23.16 0.753
2pym 1UNGag-Pol polyprotein 3.4.23.16 0.747
3d1y ROCGag-Pol polyprotein 3.4.23.16 0.747
1mrw K57Gag-Pol polyprotein 3.4.23.16 0.745
3dcr KVSProtease / 0.745
1d4j MSCGag-Pol polyprotein 3.4.23.16 0.742
2cen 4AHProtease / 0.741
1fg6 2NCGag-Pol polyprotein 3.4.23.16 0.740
2f3k RO1Protease / 0.740
3hzc 2NCProtease / 0.739
3s85 LK0Gag-Pol polyprotein / 0.739
3tl9 ROCGag-Pol polyprotein 3.4.23.16 0.739
1izi Q50Gag-Pol polyprotein 3.4.23.16 0.737
1k6t XN1Gag-Pol polyprotein 3.4.23.16 0.737
3dck KVIProtease / 0.737
3ekw DR7Gag-Pol polyprotein 3.4.23.16 0.736
3a2o KNJGag-Pol polyprotein 3.4.23.16 0.734
3nwx KVSGag-Pol polyprotein 3.4.23.16 0.734
2p3d 3TLProtease / 0.733
1ffi 2NCGag-Pol polyprotein 3.4.23.16 0.731
3ndu ROCGag-Pol polyprotein 3.4.23.16 0.731
1a8g 2Z4Gag-Pol polyprotein 3.4.23.16 0.728
1d4i BEGGag-Pol polyprotein 3.4.23.16 0.728
1zsr 0ZTGag-Pol polyprotein 3.4.23.16 0.728
1hsg MK1Gag-Pol polyprotein / 0.727
1jld 0PPGag-Pol polyprotein / 0.727
1sdt MK1Gag-Pol polyprotein 3.4.23.16 0.725
1w5v BE3Gag-Pol polyprotein 3.4.23.16 0.725
3bva 2NCGag-Pol polyprotein 3.4.23.16 0.724
3jvw DMPGag-Pol polyprotein 3.4.23.16 0.724
1w5x BE5Gag-Pol polyprotein 3.4.23.16 0.723
2avv MK1Gag-Pol polyprotein 3.4.23.16 0.723
2i4w KGQProtease / 0.723
2nnp ROCProtease / 0.723
3s56 ROCProtease / 0.723
1tcx IM1Gag-Pol polyprotein 3.4.23.16 0.722
2wkz 5AHGag-Pol polyprotein / 0.721
4hla 017Gag-Pol polyprotein 3.4.23.16 0.721
1b6m PI6Gag-Pol polyprotein 3.4.23.16 0.719
1fgc 2NCGag-Pol polyprotein 3.4.23.16 0.719
2pwc G3GGag-Pol polyprotein 3.4.23.16 0.719
1w5w BE4Gag-Pol polyprotein 3.4.23.16 0.718
3ekq ROCGag-Pol polyprotein 3.4.23.16 0.718
3gga GGWGag-Pol polyprotein / 0.716
3ndx RITGag-Pol polyprotein 3.4.23.16 0.716
1sdv MK1Gag-Pol polyprotein 3.4.23.16 0.714
2q63 1UNGag-Pol polyprotein 3.4.23.16 0.714
1bv7 XV6Gag-Pol polyprotein 3.4.23.16 0.712
1mrx K57Gag-Pol polyprotein 3.4.23.16 0.711
4k4p 3TLGag-Pol polyprotein / 0.710
1k1u 0Q4Gag-Pol polyprotein 3.4.23.16 0.708
2xye CXGGag-Pol polyprotein / 0.708
1fg8 0Q4Gag-Pol polyprotein 3.4.23.16 0.706
4fe6 0TQGag-Pol polyprotein 3.4.23.16 0.705
1eby BEBGag-Pol polyprotein 3.4.23.16 0.704
3cyx ROCGag-Pol polyprotein 3.4.23.16 0.704
1hvk A79Gag-Pol polyprotein / 0.703
3zpt M8YGag-Pol polyprotein 3.4.23.16 0.703
3ndw RITGag-Pol polyprotein 3.4.23.16 0.702
1hpx KNIGag-Pol polyprotein / 0.701
2hc0 AB2Protease / 0.701
2fxd DR7Pol polyprotein / 0.700
3pwr ROCGag-Pol polyprotein 3.4.23.16 0.698
3slz 3TLPutative gag-pro-pol polyprotein / 0.698
2bpy 3INGag-Pol polyprotein 3.4.23.16 0.696
1siv PSIGag-Pol polyprotein / 0.695
2uy0 HV1Gag-Pol polyprotein 3.4.23.16 0.694
2nnk ROCProtease / 0.691
3d1x ROCGag-Pol polyprotein 3.4.23.16 0.691
1b6p PI7Gag-Pol polyprotein 3.4.23.16 0.690
3kdb 006Gag-Pol polyprotein 3.4.23.16 0.690
1qbt 146Gag-Pol polyprotein 3.4.23.16 0.689
1wbm BLLPol protein / 0.689
1zsf 0ZSGag-Pol polyprotein 3.4.23.16 0.688
2rkf AB1Pol protein / 0.688
1bdr IM1Gag-Pol polyprotein 3.4.23.16 0.687
1ec1 BEEGag-Pol polyprotein 3.4.23.16 0.687
1ohr 1UNV-1 PROTEASE protein / 0.686
3bxr DRRGag-Pol polyprotein 3.4.23.16 0.686
2q5k AB1Protease / 0.684
1b6l PI4Gag-Pol polyprotein 3.4.23.16 0.683
1iiq 0ZRGag-Pol polyprotein 3.4.23.16 0.683
2cej 1AHPol protein / 0.681
1kzk JE2Gag-Pol polyprotein 3.4.23.16 0.680
1msm JE2Gag-Pol polyprotein 3.4.23.16 0.679
2q55 MU0Protease / 0.679
3kdc JZPGag-Pol polyprotein 3.4.23.16 0.679
2bqv A1AProtease / 0.677
1t7j 478Gag-Pol polyprotein 3.4.23.16 0.675
3nwq 2NCGag-Pol polyprotein 3.4.23.16 0.675
3qbf JHGGag-Pol polyprotein 3.4.23.16 0.674
1hiv 1ZKGag-Pol polyprotein / 0.673
1g2k NM1Gag-Pol polyprotein 3.4.23.16 0.671
3toh 079Gag-Pol polyprotein 2.7.7.49 0.671
1od1 0QSEndothiapepsin 3.4.23.22 0.670
1idb 0DOGag-Pol polyprotein / 0.669
1met DMPGag-Pol polyprotein 3.4.23.16 0.669
2bpw 1INGag-Pol polyprotein 3.4.23.16 0.669
1ec0 BEDGag-Pol polyprotein 3.4.23.16 0.668
3wsj MK1Protease / 0.667
1ff0 2NCGag-Pol polyprotein 3.4.23.16 0.664
2xyf G40Gag-Pol polyprotein / 0.664
3tog 079Gag-Pol polyprotein 2.7.7.49 0.664
1rl8 RITGag-Pol polyprotein 3.4.23.16 0.663
3ekp 478Gag-Pol polyprotein 3.4.23.16 0.662
4qgi ROCGag-Pol polyprotein 3.4.23.16 0.660
1fff 0Q4Gag-Pol polyprotein 3.4.23.16 0.659
1ivq 0PXGag-Pol polyprotein / 0.658
3el0 1UNGag-Pol polyprotein 3.4.23.16 0.657
3i2l 2NCProtease / 0.657
1ec2 BEJGag-Pol polyprotein 3.4.23.16 0.655
1sbg IM1Gag-Pol polyprotein / 0.655
3tof 076Gag-Pol polyprotein 2.7.7.49 0.655
1fej 2NCGag-Pol polyprotein 3.4.23.16 0.653
1mui AB1Protease / 0.653
1bdq IM1Gag-Pol polyprotein 3.4.23.16 0.651
1odw 0E8Gag-Pol polyprotein 3.4.23.16 0.651
9hvp 0E9Gag-Pol polyprotein / 0.650