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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
3mws 017 Pol protein

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
3mws 017Pol protein / 1.337
3d20 017Gag-Pol polyprotein 3.4.23.16 1.192
4hdf G52Gag-Pol polyprotein 3.4.23.16 1.137
3pwm 017Gag-Pol polyprotein 3.4.23.16 1.135
2ien 017Gag-Pol polyprotein 3.4.23.16 1.133
2qd8 065Gag-Pol polyprotein 3.4.23.16 1.131
3ucb 017Gag-Pol polyprotein / 1.125
2f80 017Gag-Pol polyprotein 3.4.23.16 1.123
3lzu 017Gag-Pol polyprotein 3.4.23.16 1.119
2f81 017Gag-Pol polyprotein 3.4.23.16 1.110
4heg G52Gag-Pol polyprotein 3.4.23.16 1.102
2ieo 017Protease / 1.087
4dqe 017Gag-Pol polyprotein / 1.082
2f8g 017Gag-Pol polyprotein 3.4.23.16 1.080
3t3c 017Gag-Pol polyprotein 3.4.23.16 1.079
3jvy 017Gag-Pol polyprotein 3.4.23.16 1.076
4dqf 017Gag-Pol polyprotein / 1.074
4dqh 017Gag-Pol polyprotein / 1.074
2qci 065Gag-Pol polyprotein 3.4.23.16 1.073
3o9h K2EGag-Pol polyprotein / 1.073
2z4o 065Gag-Pol polyprotein 3.4.23.16 1.072
3lzv 017Gag-Pol polyprotein 3.4.23.16 1.067
3o9e A60Pol polyprotein / 1.067
4q1w 017Gag-Pol polyprotein 3.4.23.16 1.067
1t7i 017Gag-Pol polyprotein 3.4.23.16 1.065
3ecg 065Gag-Pol polyprotein 3.4.23.47 1.064
4dqc 017Gag-Pol polyprotein / 1.064
3oy4 017Gag-Pol polyprotein 3.4.23.16 1.054
4kb9 G79Protease / 1.054
3st5 G89Gag-Pol polyprotein 3.4.23.16 1.049
1t3r 017Gag-Pol polyprotein 3.4.23.16 1.048
4njs G08Protease / 1.048
3o9b K2APol polyprotein / 1.046
4dqb 017Gag-Pol polyprotein / 1.043
2qd6 065Gag-Pol polyprotein 3.4.23.16 1.037
2qd7 065Gag-Pol polyprotein 3.4.23.16 1.036
3oxw 017Gag-Pol polyprotein 3.4.23.16 1.036
3lzs 017Gag-Pol polyprotein 3.4.23.16 1.035
3em6 017Gag-Pol polyprotein 3.4.23.16 1.034
4i8z G08Gag-Pol polyprotein 3.4.23.16 1.033
3o9a K14Pol polyprotein / 1.032
3s54 017Protease / 1.031
4q1y 017Gag-Pol polyprotein 3.4.23.16 1.031
3o99 K13Pol polyprotein / 1.030
2fdd 385Pol protein / 1.021
3vfa 031Gag-Pol polyprotein 3.4.23.16 1.021
2hs1 017Protease / 1.020
3jw2 017Gag-Pol polyprotein 3.4.23.16 1.020
3o9g F53Gag-Pol polyprotein / 1.020
4dfg 0JVGag-Pol polyprotein 3.4.23.16 1.019
3o9i A61Gag-Pol polyprotein / 1.018
3ggu 017Gag-Pol polyprotein 3.4.23.16 1.017
3o9c K20Pol polyprotein / 1.016
3o9f K2DGag-Pol polyprotein / 1.016
3qaa G04Gag-Pol polyprotein 3.4.23.16 1.015
2idw 017Protease / 1.013
3ok9 G52Gag-Pol polyprotein 3.4.23.16 1.012
3o9d K19Pol polyprotein / 1.011
3r4b 74TGag-Pol polyprotein / 1.011
2hs2 017Protease / 1.010
2hb3 GRLProtease / 1.006
3ekt 017Gag-Pol polyprotein 3.4.23.16 0.988
3cyw 017Gag-Pol polyprotein 3.4.23.16 0.985
3nu9 478Gag-Pol polyprotein 3.4.23.16 0.981
3djk G55Gag-Pol polyprotein 3.4.23.16 0.980
2i4x KGQProtease / 0.979
2i4u DJRProtease / 0.977
3i6o GR6Gag-Pol polyprotein 3.4.23.16 0.976
4njt 017Protease / 0.972
4ye3 G04Gag-Pol polyprotein 3.4.23.16 0.972
3dk1 G05Gag-Pol polyprotein 3.4.23.16 0.971
3em3 478Gag-Pol polyprotein 3.4.23.16 0.964
3d1z 017Gag-Pol polyprotein 3.4.23.16 0.962
4q1x 017Gag-Pol polyprotein 3.4.23.16 0.962
4j54 G52Gag-Pol polyprotein 3.4.23.16 0.960
3ec0 GRLGag-Pol polyprotein 3.4.23.47 0.959
4hdb G52Gag-Pol polyprotein 3.4.23.16 0.952
4j55 031Gag-Pol polyprotein 3.4.23.16 0.941
3sa8 K83Protease / 0.939
3vf7 031Gag-Pol polyprotein 3.4.23.16 0.936
1z1h HBBGag-Pol polyprotein 3.4.23.16 0.933
3ekv 478Gag-Pol polyprotein 3.4.23.16 0.932
1z1r HBHGag-Pol polyprotein 3.4.23.16 0.913
3nu4 478Gag-Pol polyprotein 3.4.23.16 0.912
4djp M73Pol polyprotein / 0.910
3gi4 K60Gag-Pol polyprotein / 0.908
3nu6 478Gag-Pol polyprotein 3.4.23.16 0.907
3oxv 478Gag-Pol polyprotein 3.4.23.16 0.906
3vf5 031Gag-Pol polyprotein 3.4.23.16 0.906
1d4l PI9Gag-Pol polyprotein 3.4.23.16 0.904
4hla 017Gag-Pol polyprotein 3.4.23.16 0.904
4djo MK5Pol polyprotein / 0.903
3nu5 478Gag-Pol polyprotein 3.4.23.16 0.902
3sa9 A68Protease / 0.901
4hdp G52Gag-Pol polyprotein 3.4.23.16 0.901
3mxe K54Gag-Pol polyprotein 3.4.23.16 0.899
3mxd K53Gag-Pol polyprotein 3.4.23.16 0.897
3vfb 031Gag-Pol polyprotein 3.4.23.16 0.897
3sa7 55AProtease / 0.894
3nu3 478Gag-Pol polyprotein 3.4.23.16 0.892
3nuo 478Gag-Pol polyprotein 3.4.23.16 0.892
2qi5 MZ7Gag-Pol polyprotein / 0.890
2i4d QFIProtease / 0.889
2psu MUUProtease / 0.885
4j5j 478Gag-Pol polyprotein 3.4.23.16 0.877
2i0a MUIProtease / 0.876
2qi0 MZ3Gag-Pol polyprotein / 0.874
3sab F78Protease / 0.874
3sac AF8Protease / 0.871
4rvj 478Protease / 0.866
3s43 478Protease / 0.863
4djr 0KJPol polyprotein / 0.863
3nuj 478Gag-Pol polyprotein 3.4.23.16 0.861
3sm2 478Putative gag-pro-pol polyprotein / 0.861
1iiq 0ZRGag-Pol polyprotein 3.4.23.16 0.860
3oxx DR7Gag-Pol polyprotein 3.4.23.16 0.856
2qhy MZ1Gag-Pol polyprotein / 0.855
2qi4 MZ6Gag-Pol polyprotein / 0.852
2fde 385Gag-Pol polyprotein 3.4.23.16 0.850
3gi6 D78Gag-Pol polyprotein / 0.845
3sa5 A69Protease / 0.842
3gi5 K62Gag-Pol polyprotein / 0.839
3sa6 F71Protease / 0.838
2fxe DR7Gag-Pol polyprotein 3.4.23.16 0.837
3sa3 23XProtease / 0.836
1hpv 478Gag-Pol polyprotein / 0.834
3sa4 F72Protease / 0.834
2qi6 MZ8Gag-Pol polyprotein / 0.832
1npv L27Gag-Pol polyprotein 3.4.23.16 0.829
2qi3 MZ5Gag-Pol polyprotein / 0.811
2q63 1UNGag-Pol polyprotein 3.4.23.16 0.806
1yt9 OISGag-Pol polyprotein / 0.796
3s56 ROCProtease / 0.796
3tl9 ROCGag-Pol polyprotein 3.4.23.16 0.794
1b6l PI4Gag-Pol polyprotein 3.4.23.16 0.790
2nmy ROCProtease / 0.788
3eky DR7Gag-Pol polyprotein 3.4.23.16 0.785
3saa 77FProtease / 0.784
2psv MUVProtease / 0.783
1izh Q50Protease / 0.782
2qi7 MZ9Gag-Pol polyprotein / 0.781
2cem 2AHPol protein / 0.778
1b6m PI6Gag-Pol polyprotein 3.4.23.16 0.777
2qhz MZ2Gag-Pol polyprotein / 0.777
1hih C20Gag-Pol polyprotein / 0.774
1sdt MK1Gag-Pol polyprotein 3.4.23.16 0.774
3kfn 3TLGag-Pol polyprotein / 0.771
3kfr 3TLGag-Pol polyprotein / 0.769
1k6t XN1Gag-Pol polyprotein 3.4.23.16 0.767
2a1e IPFGag-Pol polyprotein 3.4.23.16 0.766
3so9 017Pol protein / 0.764
1k2c 0Q4Gag-Pol polyprotein 3.4.23.16 0.762
3ekq ROCGag-Pol polyprotein 3.4.23.16 0.761
1ida 0POGag-Pol polyprotein 3.4.23.47 0.757
1siv PSIGag-Pol polyprotein / 0.755
2aqu DR7Gag-Pol polyprotein 3.4.23.16 0.753
2avs MK1Gag-Pol polyprotein 3.4.23.16 0.753
3k4v ROCGag-Pol polyprotein 3.4.23.16 0.753
4djq M86Pol polyprotein / 0.753
1hvi A77Protease / 0.752
3gga GGWGag-Pol polyprotein / 0.752
2bb9 AKCGag-Pol polyprotein 3.4.23.16 0.751
2p3b 3TLV-1 PROTEASE protein / 0.751
2p3b 3TLV-1 protease / 0.751
1izi Q50Gag-Pol polyprotein 3.4.23.16 0.749
3d1y ROCGag-Pol polyprotein 3.4.23.16 0.749
2pym 1UNGag-Pol polyprotein 3.4.23.16 0.748
3i7e DJRGag-Pol polyprotein / 0.748
1npa 3NHGag-Pol polyprotein 3.4.23.16 0.747
1npw LGZGag-Pol polyprotein 3.4.23.16 0.747
2i0d MUTProtease / 0.746
1mtr PI6Gag-Pol polyprotein 3.4.23.16 0.745
2qak 1UNGag-Pol polyprotein 3.4.23.16 0.745
1hvj A78Gag-Pol polyprotein / 0.742
3kfs 3TLGag-Pol polyprotein / 0.742
2q54 MU1Protease / 0.741
3em4 DR7Gag-Pol polyprotein 3.4.23.16 0.741
2f3k RO1Protease / 0.740
3ufn ROCGag-Pol polyprotein / 0.740
3el4 ROCGag-Pol polyprotein 3.4.23.16 0.735
3slz 3TLPutative gag-pro-pol polyprotein / 0.735
1pro A88Gag-Pol polyprotein / 0.733
1fej 2NCGag-Pol polyprotein 3.4.23.16 0.731
2i4w KGQProtease / 0.731
3cyx ROCGag-Pol polyprotein 3.4.23.16 0.731
3dcr KVSProtease / 0.731
3kf0 3TLGag-Pol polyprotein / 0.731
1jld 0PPGag-Pol polyprotein / 0.730
4qgi ROCGag-Pol polyprotein 3.4.23.16 0.730
1fgc 2NCGag-Pol polyprotein 3.4.23.16 0.729
1qbr XV6Gag-Pol polyprotein 3.4.23.16 0.729
2p3d 3TLProtease / 0.729
3el9 DR7Gag-Pol polyprotein 3.4.23.16 0.728
2nnk ROCProtease / 0.726
2aoe 0Q4Gag-Pol polyprotein 3.4.23.16 0.722
1hvk A79Gag-Pol polyprotein / 0.721
3hzc 2NCProtease / 0.720
1fg6 2NCGag-Pol polyprotein 3.4.23.16 0.719
1sdv MK1Gag-Pol polyprotein 3.4.23.16 0.719
1tcx IM1Gag-Pol polyprotein 3.4.23.16 0.718
3dck KVIProtease / 0.717
2nnp ROCProtease / 0.715
3ggx GGXGag-Pol polyprotein / 0.715
2bpw 1INGag-Pol polyprotein 3.4.23.16 0.714
2p3c 3TLProtease / 0.714
3qn8 NI7Gag-Pol polyprotein 3.4.23.16 0.714
1ffi 2NCGag-Pol polyprotein 3.4.23.16 0.713
1k2b 0Q4Gag-Pol polyprotein 3.4.23.16 0.713
1odw 0E8Gag-Pol polyprotein 3.4.23.16 0.713
1ohr 1UNV-1 PROTEASE protein / 0.713
3ekw DR7Gag-Pol polyprotein 3.4.23.16 0.712
3s85 LK0Gag-Pol polyprotein / 0.711
1hiv 1ZKGag-Pol polyprotein / 0.709
1ajv NMBGag-Pol polyprotein 3.4.23.16 0.708
3d1x ROCGag-Pol polyprotein 3.4.23.16 0.708
1mrw K57Gag-Pol polyprotein 3.4.23.16 0.707
3bva 2NCGag-Pol polyprotein 3.4.23.16 0.707
1bdr IM1Gag-Pol polyprotein 3.4.23.16 0.706
2bqv A1AProtease / 0.705
1dw6 0Q4Gag-Pol polyprotein 3.4.23.16 0.704
3bxr DRRGag-Pol polyprotein 3.4.23.16 0.704
3nyg 2NCGag-Pol polyprotein 3.4.23.16 0.704
1bv7 XV6Gag-Pol polyprotein 3.4.23.16 0.703
1m0b 0ZQGag-Pol polyprotein 3.4.23.16 0.703
2bpy 3INGag-Pol polyprotein 3.4.23.16 0.703
2xye CXGGag-Pol polyprotein / 0.703
3el0 1UNGag-Pol polyprotein 3.4.23.16 0.702
1zsf 0ZSGag-Pol polyprotein 3.4.23.16 0.701
1b6p PI7Gag-Pol polyprotein 3.4.23.16 0.700
1ody LP1Gag-Pol polyprotein 3.4.23.16 0.700
1qbt 146Gag-Pol polyprotein 3.4.23.16 0.700
3el1 DR7Gag-Pol polyprotein 3.4.23.16 0.700
1hvl A76Gag-Pol polyprotein / 0.698
1ff0 2NCGag-Pol polyprotein 3.4.23.16 0.696
2i4v DJRV-1 protease / 0.694
3nxe 2NCProtease / 0.693
3ttp 017Gag-Pol polyprotein 3.4.23.16 0.693
1ec3 MS3Gag-Pol polyprotein 3.4.23.16 0.692
3i2l 2NCProtease / 0.692
1ivp 1ZKGag-Pol polyprotein / 0.690
1zsr 0ZTGag-Pol polyprotein 3.4.23.16 0.690
1hii C20Gag-Pol polyprotein / 0.689
2xyf G40Gag-Pol polyprotein / 0.689
1hsg MK1Gag-Pol polyprotein / 0.688
1hvr XK2Gag-Pol polyprotein / 0.687
1mer DMQGag-Pol polyprotein 3.4.23.16 0.687
2uy0 HV1Gag-Pol polyprotein 3.4.23.16 0.687
3nwx KVSGag-Pol polyprotein 3.4.23.16 0.686
1c6x 3INProtease / 0.684
1g35 AHFGag-Pol polyprotein 3.4.23.16 0.684
1sbg IM1Gag-Pol polyprotein / 0.683
3pwr ROCGag-Pol polyprotein 3.4.23.16 0.683
1d4i BEGGag-Pol polyprotein 3.4.23.16 0.682
2hc0 AB2Protease / 0.681
2q64 1UNGag-Pol polyprotein 3.4.23.16 0.680
2qnn QN1Gag-Pol polyprotein 3.4.23.16 0.680
3jvw DMPGag-Pol polyprotein 3.4.23.16 0.680
3tof 076Gag-Pol polyprotein 2.7.7.49 0.680
1c6y MK1Protease / 0.679
1idb 0DOGag-Pol polyprotein / 0.679
1qbu 846Gag-Pol polyprotein 3.4.23.16 0.679
1sh9 RITGag-Pol polyprotein 3.4.23.16 0.678
2pwr G4GGag-Pol polyprotein 3.4.23.16 0.678
1fff 0Q4Gag-Pol polyprotein 3.4.23.16 0.677
1rl8 RITGag-Pol polyprotein 3.4.23.16 0.677
1mrx K57Gag-Pol polyprotein 3.4.23.16 0.676
2q55 MU0Protease / 0.676
3bvb 017Gag-Pol polyprotein 3.4.23.16 0.674
1a8g 2Z4Gag-Pol polyprotein 3.4.23.16 0.673
2qhc AB1Protease / 0.672
2pyn 1UNGag-Pol polyprotein 3.4.23.16 0.670
2rkf AB1Pol protein / 0.670
2rkg AB1Pol protein / 0.670
2cen 4AHProtease / 0.669
1a9m U0EGag-Pol polyprotein / 0.667
2b60 RITPol polyprotein / 0.665
1daz 0Q4Gag-Pol polyprotein 3.4.23.16 0.663
1dmp DMQGag-Pol polyprotein 3.4.23.16 0.663
2cej 1AHPol protein / 0.663
1fg8 0Q4Gag-Pol polyprotein 3.4.23.16 0.662
3ekp 478Gag-Pol polyprotein 3.4.23.16 0.662
3zpu M8BGag-Pol polyprotein 3.4.23.16 0.662
1g2k NM1Gag-Pol polyprotein 3.4.23.16 0.661
9hvp 0E9Gag-Pol polyprotein / 0.661
1bwb 146Gag-Pol polyprotein 3.4.23.16 0.660
1n49 RITGag-Pol polyprotein 3.4.23.16 0.659
1a8k 0Q4Gag-Pol polyprotein 3.4.23.16 0.657
1mes DMPGag-Pol polyprotein 3.4.23.16 0.657
2fxd DR7Pol polyprotein / 0.657
3bgb LJGGag-Pol polyprotein 3.4.23.16 0.657
2r38 G4GGag-Pol polyprotein 3.4.23.16 0.656
1hos PHPGag-Pol polyprotein / 0.655
3kdc JZPGag-Pol polyprotein 3.4.23.16 0.655
1a94 0Q4Gag-Pol polyprotein 3.4.23.16 0.653
1b6k PI5Gag-Pol polyprotein 3.4.23.16 0.651
1hsh MK1Gag-Pol polyprotein / 0.651
1hwr 216Gag-Pol polyprotein 3.4.23.16 0.651
2z54 AB1Gag-Pol polyprotein 3.4.23.16 0.650