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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
3sa7 55A Protease

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
3sa7 55AProtease / 1.308
3sa9 A68Protease / 1.150
3sa3 23XProtease / 1.149
2qi5 MZ7Gag-Pol polyprotein / 1.120
4djp M73Pol polyprotein / 1.094
3o9i A61Gag-Pol polyprotein / 1.071
3o9d K19Pol polyprotein / 1.064
3o9a K14Pol polyprotein / 1.035
3o9h K2EGag-Pol polyprotein / 1.035
3o9c K20Pol polyprotein / 1.031
2qi4 MZ6Gag-Pol polyprotein / 1.027
3o9f K2DGag-Pol polyprotein / 1.016
3sa8 K83Protease / 1.013
4kb9 G79Protease / 1.012
3gi4 K60Gag-Pol polyprotein / 1.004
2qi7 MZ9Gag-Pol polyprotein / 1.002
3o9e A60Pol polyprotein / 0.999
3o9b K2APol polyprotein / 0.998
2i0a MUIProtease / 0.995
3sa4 F72Protease / 0.995
3sab F78Protease / 0.994
2qhy MZ1Gag-Pol polyprotein / 0.993
2qi6 MZ8Gag-Pol polyprotein / 0.993
3sa5 A69Protease / 0.991
3gi6 D78Gag-Pol polyprotein / 0.990
4djq M86Pol polyprotein / 0.989
3oy4 017Gag-Pol polyprotein 3.4.23.16 0.985
4djr 0KJPol polyprotein / 0.983
2i0d MUTProtease / 0.976
4djo MK5Pol polyprotein / 0.976
3gi5 K62Gag-Pol polyprotein / 0.974
4hdp G52Gag-Pol polyprotein 3.4.23.16 0.967
1t3r 017Gag-Pol polyprotein 3.4.23.16 0.963
3mxd K53Gag-Pol polyprotein 3.4.23.16 0.961
2qi0 MZ3Gag-Pol polyprotein / 0.959
3mxe K54Gag-Pol polyprotein 3.4.23.16 0.957
3r4b 74TGag-Pol polyprotein / 0.957
4heg G52Gag-Pol polyprotein 3.4.23.16 0.956
3o9g F53Gag-Pol polyprotein / 0.955
4dqc 017Gag-Pol polyprotein / 0.950
3st5 G89Gag-Pol polyprotein 3.4.23.16 0.940
3lzv 017Gag-Pol polyprotein 3.4.23.16 0.939
3qaa G04Gag-Pol polyprotein 3.4.23.16 0.935
4hdf G52Gag-Pol polyprotein 3.4.23.16 0.935
4dqb 017Gag-Pol polyprotein / 0.934
3o99 K13Pol polyprotein / 0.932
4dqe 017Gag-Pol polyprotein / 0.932
2qci 065Gag-Pol polyprotein 3.4.23.16 0.931
3pwm 017Gag-Pol polyprotein 3.4.23.16 0.930
3sa6 F71Protease / 0.927
3nu4 478Gag-Pol polyprotein 3.4.23.16 0.925
3saa 77FProtease / 0.924
4dqh 017Gag-Pol polyprotein / 0.924
2psu MUUProtease / 0.923
4j54 G52Gag-Pol polyprotein 3.4.23.16 0.923
4njs G08Protease / 0.922
3nu6 478Gag-Pol polyprotein 3.4.23.16 0.921
2qd8 065Gag-Pol polyprotein 3.4.23.16 0.919
1z1h HBBGag-Pol polyprotein 3.4.23.16 0.916
3nu3 478Gag-Pol polyprotein 3.4.23.16 0.916
4dfg 0JVGag-Pol polyprotein 3.4.23.16 0.916
3ekv 478Gag-Pol polyprotein 3.4.23.16 0.915
2hb3 GRLProtease / 0.913
4q1w 017Gag-Pol polyprotein 3.4.23.16 0.913
1t7i 017Gag-Pol polyprotein 3.4.23.16 0.912
2qd7 065Gag-Pol polyprotein 3.4.23.16 0.912
2f80 017Gag-Pol polyprotein 3.4.23.16 0.909
2z4o 065Gag-Pol polyprotein 3.4.23.16 0.906
3vf7 031Gag-Pol polyprotein 3.4.23.16 0.904
4dqf 017Gag-Pol polyprotein / 0.901
3ecg 065Gag-Pol polyprotein 3.4.23.47 0.900
3em3 478Gag-Pol polyprotein 3.4.23.16 0.899
2qi3 MZ5Gag-Pol polyprotein / 0.898
3mws 017Pol protein / 0.894
1z1r HBHGag-Pol polyprotein 3.4.23.16 0.891
4q1x 017Gag-Pol polyprotein 3.4.23.16 0.890
2i4d QFIProtease / 0.886
3d1z 017Gag-Pol polyprotein 3.4.23.16 0.882
3ok9 G52Gag-Pol polyprotein 3.4.23.16 0.881
2hs1 017Protease / 0.880
2i4x KGQProtease / 0.880
4j5j 478Gag-Pol polyprotein 3.4.23.16 0.880
4q1y 017Gag-Pol polyprotein 3.4.23.16 0.880
2qd6 065Gag-Pol polyprotein 3.4.23.16 0.879
3vf5 031Gag-Pol polyprotein 3.4.23.16 0.876
3dk1 G05Gag-Pol polyprotein 3.4.23.16 0.875
2psv MUVProtease / 0.872
3em6 017Gag-Pol polyprotein 3.4.23.16 0.872
3s43 478Protease / 0.871
3t3c 017Gag-Pol polyprotein 3.4.23.16 0.869
3vfa 031Gag-Pol polyprotein 3.4.23.16 0.866
3d20 017Gag-Pol polyprotein 3.4.23.16 0.864
3el1 DR7Gag-Pol polyprotein 3.4.23.16 0.863
3oxw 017Gag-Pol polyprotein 3.4.23.16 0.860
3sac AF8Protease / 0.859
3oxv 478Gag-Pol polyprotein 3.4.23.16 0.858
3nuo 478Gag-Pol polyprotein 3.4.23.16 0.855
3em4 DR7Gag-Pol polyprotein 3.4.23.16 0.854
3nu5 478Gag-Pol polyprotein 3.4.23.16 0.854
1d4l PI9Gag-Pol polyprotein 3.4.23.16 0.853
2i4u DJRProtease / 0.851
2idw 017Protease / 0.850
3ec0 GRLGag-Pol polyprotein 3.4.23.47 0.850
3i6o GR6Gag-Pol polyprotein 3.4.23.16 0.849
3ucb 017Gag-Pol polyprotein / 0.849
2i4v DJRV-1 protease / 0.848
4hdb G52Gag-Pol polyprotein 3.4.23.16 0.847
4j55 031Gag-Pol polyprotein 3.4.23.16 0.847
2f8g 017Gag-Pol polyprotein 3.4.23.16 0.840
2hs2 017Protease / 0.839
3djk G55Gag-Pol polyprotein 3.4.23.16 0.834
2f81 017Gag-Pol polyprotein 3.4.23.16 0.832
2ien 017Gag-Pol polyprotein 3.4.23.16 0.829
2fdd 385Pol protein / 0.825
3sm2 478Putative gag-pro-pol polyprotein / 0.824
3s54 017Protease / 0.823
2ieo 017Protease / 0.821
3eky DR7Gag-Pol polyprotein 3.4.23.16 0.821
3bvb 017Gag-Pol polyprotein 3.4.23.16 0.820
2qhz MZ2Gag-Pol polyprotein / 0.812
3cyw 017Gag-Pol polyprotein 3.4.23.16 0.811
3nuj 478Gag-Pol polyprotein 3.4.23.16 0.811
3vfb 031Gag-Pol polyprotein 3.4.23.16 0.809
4i8z G08Gag-Pol polyprotein 3.4.23.16 0.807
4rvj 478Protease / 0.806
3oxx DR7Gag-Pol polyprotein 3.4.23.16 0.800
4ye3 G04Gag-Pol polyprotein 3.4.23.16 0.800
3lzs 017Gag-Pol polyprotein 3.4.23.16 0.799
3jvy 017Gag-Pol polyprotein 3.4.23.16 0.796
3lzu 017Gag-Pol polyprotein 3.4.23.16 0.796
3nu9 478Gag-Pol polyprotein 3.4.23.16 0.796
3kfs 3TLGag-Pol polyprotein / 0.794
3s85 LK0Gag-Pol polyprotein / 0.794
2a1e IPFGag-Pol polyprotein 3.4.23.16 0.793
2aqu DR7Gag-Pol polyprotein 3.4.23.16 0.791
1ida 0POGag-Pol polyprotein 3.4.23.47 0.789
3i7e DJRGag-Pol polyprotein / 0.789
2q54 MU1Protease / 0.788
2fxe DR7Gag-Pol polyprotein 3.4.23.16 0.785
3tl9 ROCGag-Pol polyprotein 3.4.23.16 0.785
3ufn ROCGag-Pol polyprotein / 0.784
2nmy ROCProtease / 0.782
3ekt 017Gag-Pol polyprotein 3.4.23.16 0.780
3el4 ROCGag-Pol polyprotein 3.4.23.16 0.780
2avv MK1Gag-Pol polyprotein 3.4.23.16 0.778
3kfr 3TLGag-Pol polyprotein / 0.777
1npa 3NHGag-Pol polyprotein 3.4.23.16 0.775
1npw LGZGag-Pol polyprotein 3.4.23.16 0.775
2nnp ROCProtease / 0.774
3cyx ROCGag-Pol polyprotein 3.4.23.16 0.774
3fx5 KNIGag-Pol polyprotein 3.4.23.16 0.774
3tof 076Gag-Pol polyprotein 2.7.7.49 0.774
3d1x ROCGag-Pol polyprotein 3.4.23.16 0.772
2p3a 3TLPol protein / 0.771
1b6p PI7Gag-Pol polyprotein 3.4.23.16 0.770
1hih C20Gag-Pol polyprotein / 0.768
3kfn 3TLGag-Pol polyprotein / 0.768
2nnk ROCProtease / 0.766
3s56 ROCProtease / 0.766
2bbb HH1Gag-Pol polyprotein 3.4.23.16 0.760
2fde 385Gag-Pol polyprotein 3.4.23.16 0.760
3ggu 017Gag-Pol polyprotein 3.4.23.16 0.760
1jld 0PPGag-Pol polyprotein / 0.757
3el9 DR7Gag-Pol polyprotein 3.4.23.16 0.756
3kf0 3TLGag-Pol polyprotein / 0.756
4njt 017Protease / 0.755
2wkz 5AHGag-Pol polyprotein / 0.753
1hiv 1ZKGag-Pol polyprotein / 0.749
1d4k PI8Gag-Pol polyprotein 3.4.23.16 0.746
1hpv 478Gag-Pol polyprotein / 0.746
2bb9 AKCGag-Pol polyprotein 3.4.23.16 0.746
4hla 017Gag-Pol polyprotein 3.4.23.16 0.746
2qak 1UNGag-Pol polyprotein 3.4.23.16 0.745
3tog 079Gag-Pol polyprotein 2.7.7.49 0.743
3slz 3TLPutative gag-pro-pol polyprotein / 0.741
1sdt MK1Gag-Pol polyprotein 3.4.23.16 0.738
3jw2 017Gag-Pol polyprotein 3.4.23.16 0.737
1tcx IM1Gag-Pol polyprotein 3.4.23.16 0.735
3k4v ROCGag-Pol polyprotein 3.4.23.16 0.735
1daz 0Q4Gag-Pol polyprotein 3.4.23.16 0.734
2p3b 3TLV-1 PROTEASE protein / 0.734
2p3b 3TLV-1 protease / 0.734
3ttp 017Gag-Pol polyprotein 3.4.23.16 0.734
2p3c 3TLProtease / 0.733
1sdv MK1Gag-Pol polyprotein 3.4.23.16 0.732
4k4p 3TLGag-Pol polyprotein / 0.732
1k2b 0Q4Gag-Pol polyprotein 3.4.23.16 0.731
2p3d 3TLProtease / 0.731
3pwr ROCGag-Pol polyprotein 3.4.23.16 0.731
2cen 4AHProtease / 0.730
3bxr DRRGag-Pol polyprotein 3.4.23.16 0.730
3ndt ROCGag-Pol polyprotein 3.4.23.16 0.730
1izh Q50Protease / 0.729
1iiq 0ZRGag-Pol polyprotein 3.4.23.16 0.728
2avs MK1Gag-Pol polyprotein 3.4.23.16 0.728
3gga GGWGag-Pol polyprotein / 0.727
2pym 1UNGag-Pol polyprotein 3.4.23.16 0.726
3toh 079Gag-Pol polyprotein 2.7.7.49 0.725
1hvl A76Gag-Pol polyprotein / 0.724
4qgi ROCGag-Pol polyprotein 3.4.23.16 0.724
1hvs A77Gag-Pol polyprotein / 0.723
1sdu MK1Gag-Pol polyprotein 3.4.23.16 0.723
2f3k RO1Protease / 0.723
3d1y ROCGag-Pol polyprotein 3.4.23.16 0.723
1mtr PI6Gag-Pol polyprotein 3.4.23.16 0.722
2aoe 0Q4Gag-Pol polyprotein 3.4.23.16 0.722
2fle AIProtease / 0.721
1hxw RITGag-Pol polyprotein / 0.717
1ody LP1Gag-Pol polyprotein 3.4.23.16 0.716
2q63 1UNGag-Pol polyprotein 3.4.23.16 0.716
3nwx KVSGag-Pol polyprotein 3.4.23.16 0.716
2wl0 5AHGag-Pol polyprotein / 0.715
3ndx RITGag-Pol polyprotein 3.4.23.16 0.715
1ivq 0PXGag-Pol polyprotein / 0.713
2q64 1UNGag-Pol polyprotein 3.4.23.16 0.712
2fxd DR7Pol polyprotein / 0.711
1mrw K57Gag-Pol polyprotein 3.4.23.16 0.710
1ohr 1UNV-1 PROTEASE protein / 0.710
3i2l 2NCProtease / 0.709
4njv RITProtease / 0.708
1a94 0Q4Gag-Pol polyprotein 3.4.23.16 0.707
1fg8 0Q4Gag-Pol polyprotein 3.4.23.16 0.707
2cem 2AHPol protein / 0.707
1bdr IM1Gag-Pol polyprotein 3.4.23.16 0.706
1yt9 OISGag-Pol polyprotein / 0.706
3zpt M8YGag-Pol polyprotein 3.4.23.16 0.705
1fff 0Q4Gag-Pol polyprotein 3.4.23.16 0.704
1pro A88Gag-Pol polyprotein / 0.703
1b6k PI5Gag-Pol polyprotein 3.4.23.16 0.702
3ekq ROCGag-Pol polyprotein 3.4.23.16 0.701
2bpw 1INGag-Pol polyprotein 3.4.23.16 0.699
1b6m PI6Gag-Pol polyprotein 3.4.23.16 0.697
1d4j MSCGag-Pol polyprotein 3.4.23.16 0.696
1k2c 0Q4Gag-Pol polyprotein 3.4.23.16 0.696
1hvk A79Gag-Pol polyprotein / 0.695
3bxs DRSGag-Pol polyprotein 3.4.23.16 0.694
1ec2 BEJGag-Pol polyprotein 3.4.23.16 0.693
1hos PHPGag-Pol polyprotein / 0.693
1siv PSIGag-Pol polyprotein / 0.692
1k6t XN1Gag-Pol polyprotein 3.4.23.16 0.689
2hc0 AB2Protease / 0.689
3ndw RITGag-Pol polyprotein 3.4.23.16 0.689
3jvw DMPGag-Pol polyprotein 3.4.23.16 0.686
1m0b 0ZQGag-Pol polyprotein 3.4.23.16 0.685
2bqv A1AProtease / 0.685
1fgc 2NCGag-Pol polyprotein 3.4.23.16 0.683
2xyf G40Gag-Pol polyprotein / 0.683
3ckt YDPGag-Pol polyprotein 3.4.23.16 0.683
1fg6 2NCGag-Pol polyprotein 3.4.23.16 0.682
1w5y BE6Gag-Pol polyprotein 3.4.23.16 0.681
3ggx GGXGag-Pol polyprotein / 0.681
1ebk 0Q4Gag-Pol polyprotein 3.4.23.16 0.678
3nxe 2NCProtease / 0.677
1a8g 2Z4Gag-Pol polyprotein 3.4.23.16 0.676
1sbg IM1Gag-Pol polyprotein / 0.675
1hpx KNIGag-Pol polyprotein / 0.673
1hvj A78Gag-Pol polyprotein / 0.673
1k1u 0Q4Gag-Pol polyprotein 3.4.23.16 0.673
2fmb LP1Reverse transcriptase / 0.673
3hzc 2NCProtease / 0.673
1ec1 BEEGag-Pol polyprotein 3.4.23.16 0.672
1fej 2NCGag-Pol polyprotein 3.4.23.16 0.672
1izi Q50Gag-Pol polyprotein 3.4.23.16 0.669
2xye CXGGag-Pol polyprotein / 0.669
2a4f AAUV-1 protease / 0.668
2upj U02Gag-Pol polyprotein 3.4.23.16 0.667
1t7k BH0Gag-Pol polyprotein 3.4.23.16 0.666
2pwc G3GGag-Pol polyprotein 3.4.23.16 0.666
2pyn 1UNGag-Pol polyprotein 3.4.23.16 0.666
1b6l PI4Gag-Pol polyprotein 3.4.23.16 0.664
1ff0 2NCGag-Pol polyprotein 3.4.23.16 0.663
2qnp QN2Gag-Pol polyprotein 3.4.23.16 0.662
3el0 1UNGag-Pol polyprotein 3.4.23.16 0.661
1dw6 0Q4Gag-Pol polyprotein 3.4.23.16 0.660
1d4h BEHGag-Pol polyprotein 3.4.23.16 0.659
2uxz HI1Gag-Pol polyprotein 3.4.23.16 0.659
1g35 AHFGag-Pol polyprotein 3.4.23.16 0.658
3zpu M8BGag-Pol polyprotein 3.4.23.16 0.658
1msm JE2Gag-Pol polyprotein 3.4.23.16 0.657
3tlh 3TLGag-Pol polyprotein 3.4.23.16 0.657
1npv L27Gag-Pol polyprotein 3.4.23.16 0.656
1w5w BE4Gag-Pol polyprotein 3.4.23.16 0.656
2qnn QN1Gag-Pol polyprotein 3.4.23.16 0.656
1dif A85Gag-Pol polyprotein / 0.655
2az8 3TLGag-Pol polyprotein 3.4.23.16 0.655
1b11 3TLPol polyprotein / 0.653
1ec0 BEDGag-Pol polyprotein 3.4.23.16 0.651
1ebz BECGag-Pol polyprotein 3.4.23.16 0.650
1xl5 190Gag-Pol polyprotein 3.4.23.16 0.650
9hvp 0E9Gag-Pol polyprotein / 0.650