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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
2hs2 017 Protease

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
2hs2 017Protease / 1.252
3o9e A60Pol polyprotein / 1.077
4dqf 017Gag-Pol polyprotein / 1.073
4dqe 017Gag-Pol polyprotein / 1.065
4dqb 017Gag-Pol polyprotein / 1.038
3pwm 017Gag-Pol polyprotein 3.4.23.16 1.030
3s54 017Protease / 1.030
4dqh 017Gag-Pol polyprotein / 1.030
4dqc 017Gag-Pol polyprotein / 1.029
3lzv 017Gag-Pol polyprotein 3.4.23.16 1.025
3ucb 017Gag-Pol polyprotein / 1.024
3d20 017Gag-Pol polyprotein 3.4.23.16 1.021
2f80 017Gag-Pol polyprotein 3.4.23.16 1.015
3oxw 017Gag-Pol polyprotein 3.4.23.16 1.014
2ien 017Gag-Pol polyprotein 3.4.23.16 1.011
2ieo 017Protease / 1.011
3mws 017Pol protein / 1.010
4njt 017Protease / 1.009
3ok9 G52Gag-Pol polyprotein 3.4.23.16 1.002
3jvy 017Gag-Pol polyprotein 3.4.23.16 0.993
3o9b K2APol polyprotein / 0.990
3ggu 017Gag-Pol polyprotein 3.4.23.16 0.989
4hla 017Gag-Pol polyprotein 3.4.23.16 0.986
1t3r 017Gag-Pol polyprotein 3.4.23.16 0.985
3qaa G04Gag-Pol polyprotein 3.4.23.16 0.980
4q1w 017Gag-Pol polyprotein 3.4.23.16 0.979
3t3c 017Gag-Pol polyprotein 3.4.23.16 0.977
3lzs 017Gag-Pol polyprotein 3.4.23.16 0.974
2hs1 017Protease / 0.970
3em6 017Gag-Pol polyprotein 3.4.23.16 0.968
3o99 K13Pol polyprotein / 0.966
3o9g F53Gag-Pol polyprotein / 0.966
3o9i A61Gag-Pol polyprotein / 0.964
1t7i 017Gag-Pol polyprotein 3.4.23.16 0.958
2hb3 GRLProtease / 0.958
3ecg 065Gag-Pol polyprotein 3.4.23.47 0.958
2f8g 017Gag-Pol polyprotein 3.4.23.16 0.957
4hdb G52Gag-Pol polyprotein 3.4.23.16 0.955
3o9h K2EGag-Pol polyprotein / 0.954
3oy4 017Gag-Pol polyprotein 3.4.23.16 0.954
2z4o 065Gag-Pol polyprotein 3.4.23.16 0.953
4q1x 017Gag-Pol polyprotein 3.4.23.16 0.952
3bvb 017Gag-Pol polyprotein 3.4.23.16 0.951
4q1y 017Gag-Pol polyprotein 3.4.23.16 0.951
2qd7 065Gag-Pol polyprotein 3.4.23.16 0.949
2qci 065Gag-Pol polyprotein 3.4.23.16 0.947
3em3 478Gag-Pol polyprotein 3.4.23.16 0.947
4kb9 G79Protease / 0.947
4hdp G52Gag-Pol polyprotein 3.4.23.16 0.936
2qd6 065Gag-Pol polyprotein 3.4.23.16 0.933
3nuj 478Gag-Pol polyprotein 3.4.23.16 0.932
3o9f K2DGag-Pol polyprotein / 0.930
4hdf G52Gag-Pol polyprotein 3.4.23.16 0.928
3o9c K20Pol polyprotein / 0.924
3i6o GR6Gag-Pol polyprotein 3.4.23.16 0.922
3nuo 478Gag-Pol polyprotein 3.4.23.16 0.921
3nu3 478Gag-Pol polyprotein 3.4.23.16 0.919
3lzu 017Gag-Pol polyprotein 3.4.23.16 0.912
3oxv 478Gag-Pol polyprotein 3.4.23.16 0.912
3st5 G89Gag-Pol polyprotein 3.4.23.16 0.910
3nu5 478Gag-Pol polyprotein 3.4.23.16 0.909
3o9d K19Pol polyprotein / 0.908
4ye3 G04Gag-Pol polyprotein 3.4.23.16 0.905
3ec0 GRLGag-Pol polyprotein 3.4.23.47 0.903
3d1z 017Gag-Pol polyprotein 3.4.23.16 0.902
3cyw 017Gag-Pol polyprotein 3.4.23.16 0.900
3o9a K14Pol polyprotein / 0.896
2idw 017Protease / 0.895
3nu4 478Gag-Pol polyprotein 3.4.23.16 0.894
3oxx DR7Gag-Pol polyprotein 3.4.23.16 0.893
2fdd 385Pol protein / 0.891
4heg G52Gag-Pol polyprotein 3.4.23.16 0.890
4j54 G52Gag-Pol polyprotein 3.4.23.16 0.889
4i8z G08Gag-Pol polyprotein 3.4.23.16 0.887
2f81 017Gag-Pol polyprotein 3.4.23.16 0.885
3s43 478Protease / 0.885
3i7e DJRGag-Pol polyprotein / 0.884
2i4u DJRProtease / 0.883
2qi0 MZ3Gag-Pol polyprotein / 0.881
3r4b 74TGag-Pol polyprotein / 0.881
3vfa 031Gag-Pol polyprotein 3.4.23.16 0.881
4njs G08Protease / 0.873
2i4d QFIProtease / 0.869
3jw2 017Gag-Pol polyprotein 3.4.23.16 0.868
3mxd K53Gag-Pol polyprotein 3.4.23.16 0.868
3vfb 031Gag-Pol polyprotein 3.4.23.16 0.868
3sa8 K83Protease / 0.865
1d4l PI9Gag-Pol polyprotein 3.4.23.16 0.861
2i4v DJRV-1 protease / 0.861
3djk G55Gag-Pol polyprotein 3.4.23.16 0.861
3vf7 031Gag-Pol polyprotein 3.4.23.16 0.861
3ekv 478Gag-Pol polyprotein 3.4.23.16 0.859
3vf5 031Gag-Pol polyprotein 3.4.23.16 0.855
4dfg 0JVGag-Pol polyprotein 3.4.23.16 0.855
3sab F78Protease / 0.854
3mxe K54Gag-Pol polyprotein 3.4.23.16 0.851
4rvj 478Protease / 0.850
4djp M73Pol polyprotein / 0.849
3sa9 A68Protease / 0.847
2qd8 065Gag-Pol polyprotein 3.4.23.16 0.846
2qhy MZ1Gag-Pol polyprotein / 0.843
2qi6 MZ8Gag-Pol polyprotein / 0.840
3sa7 55AProtease / 0.839
1z1h HBBGag-Pol polyprotein 3.4.23.16 0.838
3dk1 G05Gag-Pol polyprotein 3.4.23.16 0.838
3nu9 478Gag-Pol polyprotein 3.4.23.16 0.838
2qi5 MZ7Gag-Pol polyprotein / 0.837
1z1r HBHGag-Pol polyprotein 3.4.23.16 0.835
3ttp 017Gag-Pol polyprotein 3.4.23.16 0.834
3nu6 478Gag-Pol polyprotein 3.4.23.16 0.829
3ekt 017Gag-Pol polyprotein 3.4.23.16 0.828
3saa 77FProtease / 0.825
3sac AF8Protease / 0.825
4j5j 478Gag-Pol polyprotein 3.4.23.16 0.825
4j55 031Gag-Pol polyprotein 3.4.23.16 0.823
2qi7 MZ9Gag-Pol polyprotein / 0.822
3sa4 F72Protease / 0.817
2psu MUUProtease / 0.810
3gi5 K62Gag-Pol polyprotein / 0.810
2i0a MUIProtease / 0.809
2i4x KGQProtease / 0.807
2qi4 MZ6Gag-Pol polyprotein / 0.806
4djr 0KJPol polyprotein / 0.804
3eky DR7Gag-Pol polyprotein 3.4.23.16 0.801
3gi4 K60Gag-Pol polyprotein / 0.798
3sa6 F71Protease / 0.797
3sm2 478Putative gag-pro-pol polyprotein / 0.791
4djo MK5Pol polyprotein / 0.782
3sa3 23XProtease / 0.780
1npv L27Gag-Pol polyprotein 3.4.23.16 0.777
3el1 DR7Gag-Pol polyprotein 3.4.23.16 0.775
4djq M86Pol polyprotein / 0.775
2fde 385Gag-Pol polyprotein 3.4.23.16 0.773
2cem 2AHPol protein / 0.772
2qhz MZ2Gag-Pol polyprotein / 0.772
2wkz 5AHGag-Pol polyprotein / 0.771
3el9 DR7Gag-Pol polyprotein 3.4.23.16 0.771
3sa5 A69Protease / 0.771
2i0d MUTProtease / 0.767
2psv MUVProtease / 0.757
1sdt MK1Gag-Pol polyprotein 3.4.23.16 0.756
2bb9 AKCGag-Pol polyprotein 3.4.23.16 0.748
2fxe DR7Gag-Pol polyprotein 3.4.23.16 0.747
1kzk JE2Gag-Pol polyprotein 3.4.23.16 0.746
1b6m PI6Gag-Pol polyprotein 3.4.23.16 0.745
3kfr 3TLGag-Pol polyprotein / 0.744
2qi3 MZ5Gag-Pol polyprotein / 0.739
3tl9 ROCGag-Pol polyprotein 3.4.23.16 0.739
1bdr IM1Gag-Pol polyprotein 3.4.23.16 0.738
1hvi A77Protease / 0.736
2p3b 3TLV-1 PROTEASE protein / 0.736
2p3b 3TLV-1 protease / 0.736
3ndt ROCGag-Pol polyprotein 3.4.23.16 0.736
1qbr XV6Gag-Pol polyprotein 3.4.23.16 0.735
1fej 2NCGag-Pol polyprotein 3.4.23.16 0.730
1sdv MK1Gag-Pol polyprotein 3.4.23.16 0.730
3cyx ROCGag-Pol polyprotein 3.4.23.16 0.728
1ohr 1UNV-1 PROTEASE protein / 0.724
2uxz HI1Gag-Pol polyprotein 3.4.23.16 0.724
3k4v ROCGag-Pol polyprotein 3.4.23.16 0.724
2qak 1UNGag-Pol polyprotein 3.4.23.16 0.722
3kf0 3TLGag-Pol polyprotein / 0.721
1siv PSIGag-Pol polyprotein / 0.718
2pym 1UNGag-Pol polyprotein 3.4.23.16 0.718
3pwr ROCGag-Pol polyprotein 3.4.23.16 0.718
1b6k PI5Gag-Pol polyprotein 3.4.23.16 0.717
1b6l PI4Gag-Pol polyprotein 3.4.23.16 0.716
1b6p PI7Gag-Pol polyprotein 3.4.23.16 0.716
1k6t XN1Gag-Pol polyprotein 3.4.23.16 0.716
3bxs DRSGag-Pol polyprotein 3.4.23.16 0.715
3so9 017Pol protein / 0.715
1t7j 478Gag-Pol polyprotein 3.4.23.16 0.714
2q54 MU1Protease / 0.713
1npa 3NHGag-Pol polyprotein 3.4.23.16 0.712
1npw LGZGag-Pol polyprotein 3.4.23.16 0.712
1yt9 OISGag-Pol polyprotein / 0.712
2uy0 HV1Gag-Pol polyprotein 3.4.23.16 0.712
3ekx 1UNGag-Pol polyprotein 3.4.23.16 0.711
1a94 0Q4Gag-Pol polyprotein 3.4.23.16 0.707
2p3c 3TLProtease / 0.707
2wl0 5AHGag-Pol polyprotein / 0.707
3ekw DR7Gag-Pol polyprotein 3.4.23.16 0.707
1ody LP1Gag-Pol polyprotein 3.4.23.16 0.705
2xye CXGGag-Pol polyprotein / 0.705
3i2l 2NCProtease / 0.705
2avm 2NCGag-Pol polyprotein 3.4.23.16 0.704
3d1y ROCGag-Pol polyprotein 3.4.23.16 0.704
2aqu DR7Gag-Pol polyprotein 3.4.23.16 0.702
2nnk ROCProtease / 0.701
3ufn ROCGag-Pol polyprotein / 0.701
1hvs A77Gag-Pol polyprotein / 0.699
1izh Q50Protease / 0.699
1ffi 2NCGag-Pol polyprotein 3.4.23.16 0.697
2fxd DR7Pol polyprotein / 0.697
1ec0 BEDGag-Pol polyprotein 3.4.23.16 0.696
3slz 3TLPutative gag-pro-pol polyprotein / 0.696
1iiq 0ZRGag-Pol polyprotein 3.4.23.16 0.694
3nwq 2NCGag-Pol polyprotein 3.4.23.16 0.693
1m0b 0ZQGag-Pol polyprotein 3.4.23.16 0.692
3em4 DR7Gag-Pol polyprotein 3.4.23.16 0.692
1fg6 2NCGag-Pol polyprotein 3.4.23.16 0.691
2fle AIProtease / 0.691
1ida 0POGag-Pol polyprotein 3.4.23.47 0.690
1qbu 846Gag-Pol polyprotein 3.4.23.16 0.688
2p3a 3TLPol protein / 0.688
3hzc 2NCProtease / 0.688
1ebz BECGag-Pol polyprotein 3.4.23.16 0.687
2bqv A1AProtease / 0.687
3ekq ROCGag-Pol polyprotein 3.4.23.16 0.686
1ec3 MS3Gag-Pol polyprotein 3.4.23.16 0.685
1k2b 0Q4Gag-Pol polyprotein 3.4.23.16 0.685
3d1x ROCGag-Pol polyprotein 3.4.23.16 0.685
3gga GGWGag-Pol polyprotein / 0.685
1hvj A78Gag-Pol polyprotein / 0.684
1w5x BE5Gag-Pol polyprotein 3.4.23.16 0.684
2aoe 0Q4Gag-Pol polyprotein 3.4.23.16 0.684
2avs MK1Gag-Pol polyprotein 3.4.23.16 0.684
1ec1 BEEGag-Pol polyprotein 3.4.23.16 0.683
1mrx K57Gag-Pol polyprotein 3.4.23.16 0.683
3el4 ROCGag-Pol polyprotein 3.4.23.16 0.683
1mrw K57Gag-Pol polyprotein 3.4.23.16 0.682
3ndw RITGag-Pol polyprotein 3.4.23.16 0.682
9hvp 0E9Gag-Pol polyprotein / 0.682
1zsr 0ZTGag-Pol polyprotein 3.4.23.16 0.681
2b60 RITPol polyprotein / 0.681
2nmy ROCProtease / 0.681
1dw6 0Q4Gag-Pol polyprotein 3.4.23.16 0.680
4k4p 3TLGag-Pol polyprotein / 0.680
1w5v BE3Gag-Pol polyprotein 3.4.23.16 0.678
1w5w BE4Gag-Pol polyprotein 3.4.23.16 0.678
3ndx RITGag-Pol polyprotein 3.4.23.16 0.678
1mtr PI6Gag-Pol polyprotein 3.4.23.16 0.677
4a6c QG9Gag-Pol polyprotein 3.4.23.16 0.677
4qgi ROCGag-Pol polyprotein 3.4.23.16 0.677
1k2c 0Q4Gag-Pol polyprotein 3.4.23.16 0.676
2bpy 3INGag-Pol polyprotein 3.4.23.16 0.676
3kfs 3TLGag-Pol polyprotein / 0.676
1hih C20Gag-Pol polyprotein / 0.675
3qn8 NI7Gag-Pol polyprotein 3.4.23.16 0.675
2hc0 AB2Protease / 0.674
2nnp ROCProtease / 0.674
3s85 LK0Gag-Pol polyprotein / 0.674
1bv9 XV6Gag-Pol polyprotein 3.4.23.16 0.673
3bva 2NCGag-Pol polyprotein 3.4.23.16 0.673
1pro A88Gag-Pol polyprotein / 0.672
2q63 1UNGag-Pol polyprotein 3.4.23.16 0.671
3kdb 006Gag-Pol polyprotein 3.4.23.16 0.670
1hpv 478Gag-Pol polyprotein / 0.669
2cen 4AHProtease / 0.669
4njv RITProtease / 0.669
2cej 1AHPol protein / 0.667
3ekp 478Gag-Pol polyprotein 3.4.23.16 0.667
3el0 1UNGag-Pol polyprotein 3.4.23.16 0.667
1mui AB1Protease / 0.665
2bpx MK1Gag-Pol polyprotein 3.4.23.16 0.665
1ebw BEIGag-Pol polyprotein 3.4.23.16 0.663
3a2o KNJGag-Pol polyprotein 3.4.23.16 0.663
1fff 0Q4Gag-Pol polyprotein 3.4.23.16 0.662
1hos PHPGag-Pol polyprotein / 0.662
1a8g 2Z4Gag-Pol polyprotein 3.4.23.16 0.659
1d4j MSCGag-Pol polyprotein 3.4.23.16 0.659
1daz 0Q4Gag-Pol polyprotein 3.4.23.16 0.659
3nxe 2NCProtease / 0.659
1ebk 0Q4Gag-Pol polyprotein 3.4.23.16 0.658
1ff0 2NCGag-Pol polyprotein 3.4.23.16 0.658
1hvr XK2Gag-Pol polyprotein / 0.658
2i4w KGQProtease / 0.658
1wbm BLLPol protein / 0.657
2rkf AB1Pol protein / 0.655
3s56 ROCProtease / 0.655
1fg8 0Q4Gag-Pol polyprotein 3.4.23.16 0.654
1zsf 0ZSGag-Pol polyprotein 3.4.23.16 0.654
2pwc G3GGag-Pol polyprotein 3.4.23.16 0.654
1sh9 RITGag-Pol polyprotein 3.4.23.16 0.653
2a1e IPFGag-Pol polyprotein 3.4.23.16 0.653
2qhc AB1Protease / 0.653
2rkg AB1Pol protein / 0.653
1hvk A79Gag-Pol polyprotein / 0.651
2p3d 3TLProtease / 0.651
2r43 G3GGag-Pol polyprotein 3.4.23.16 0.651
2f3k RO1Protease / 0.650
2xyf G40Gag-Pol polyprotein / 0.650