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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
4heg G52 Gag-Pol polyprotein 3.4.23.16

Complex with similar interaction patterns:

PDB ID HET Uniprot Name EC Number Binding Mode
Similarity
Align
4heg G52Gag-Pol polyprotein 3.4.23.16 1.442
3ok9 G52Gag-Pol polyprotein 3.4.23.16 1.248
2qci 065Gag-Pol polyprotein 3.4.23.16 1.247
3o9a K14Pol polyprotein / 1.238
3pwm 017Gag-Pol polyprotein 3.4.23.16 1.232
4hdf G52Gag-Pol polyprotein 3.4.23.16 1.232
4hdb G52Gag-Pol polyprotein 3.4.23.16 1.216
4kb9 G79Protease / 1.205
2z4o 065Gag-Pol polyprotein 3.4.23.16 1.201
3o9h K2EGag-Pol polyprotein / 1.199
3qaa G04Gag-Pol polyprotein 3.4.23.16 1.185
2qd6 065Gag-Pol polyprotein 3.4.23.16 1.183
3ecg 065Gag-Pol polyprotein 3.4.23.47 1.168
3st5 G89Gag-Pol polyprotein 3.4.23.16 1.166
3dk1 G05Gag-Pol polyprotein 3.4.23.16 1.164
2f80 017Gag-Pol polyprotein 3.4.23.16 1.163
2qd8 065Gag-Pol polyprotein 3.4.23.16 1.160
2qd7 065Gag-Pol polyprotein 3.4.23.16 1.158
3djk G55Gag-Pol polyprotein 3.4.23.16 1.156
3vf7 031Gag-Pol polyprotein 3.4.23.16 1.141
3oy4 017Gag-Pol polyprotein 3.4.23.16 1.138
4dqc 017Gag-Pol polyprotein / 1.137
4dfg 0JVGag-Pol polyprotein 3.4.23.16 1.135
3r4b 74TGag-Pol polyprotein / 1.131
4dqh 017Gag-Pol polyprotein / 1.124
2i4u DJRProtease / 1.118
1t3r 017Gag-Pol polyprotein 3.4.23.16 1.116
3d20 017Gag-Pol polyprotein 3.4.23.16 1.116
3i6o GR6Gag-Pol polyprotein 3.4.23.16 1.114
3o9c K20Pol polyprotein / 1.114
4dqf 017Gag-Pol polyprotein / 1.114
4njs G08Protease / 1.109
3vfa 031Gag-Pol polyprotein 3.4.23.16 1.106
2f81 017Gag-Pol polyprotein 3.4.23.16 1.102
3mws 017Pol protein / 1.102
4dqb 017Gag-Pol polyprotein / 1.100
3o9i A61Gag-Pol polyprotein / 1.095
3lzu 017Gag-Pol polyprotein 3.4.23.16 1.082
2hs1 017Protease / 1.079
2idw 017Protease / 1.078
3o9e A60Pol polyprotein / 1.076
3d1z 017Gag-Pol polyprotein 3.4.23.16 1.075
1t7i 017Gag-Pol polyprotein 3.4.23.16 1.073
2fdd 385Pol protein / 1.073
2i4x KGQProtease / 1.071
3oxw 017Gag-Pol polyprotein 3.4.23.16 1.071
3vf5 031Gag-Pol polyprotein 3.4.23.16 1.071
4q1w 017Gag-Pol polyprotein 3.4.23.16 1.071
2hb3 GRLProtease / 1.066
2ien 017Gag-Pol polyprotein 3.4.23.16 1.065
3o99 K13Pol polyprotein / 1.063
2i4d QFIProtease / 1.062
3sa9 A68Protease / 1.060
2i4v DJRV-1 protease / 1.059
3sa8 K83Protease / 1.058
3o9d K19Pol polyprotein / 1.057
4djp M73Pol polyprotein / 1.057
3cyw 017Gag-Pol polyprotein 3.4.23.16 1.054
3em6 017Gag-Pol polyprotein 3.4.23.16 1.053
3lzv 017Gag-Pol polyprotein 3.4.23.16 1.048
3t3c 017Gag-Pol polyprotein 3.4.23.16 1.048
4hdp G52Gag-Pol polyprotein 3.4.23.16 1.045
2f8g 017Gag-Pol polyprotein 3.4.23.16 1.044
3lzs 017Gag-Pol polyprotein 3.4.23.16 1.042
4q1y 017Gag-Pol polyprotein 3.4.23.16 1.040
2qi4 MZ6Gag-Pol polyprotein / 1.037
4ye3 G04Gag-Pol polyprotein 3.4.23.16 1.036
3mxd K53Gag-Pol polyprotein 3.4.23.16 1.034
4dqe 017Gag-Pol polyprotein / 1.032
3saa 77FProtease / 1.025
3jvy 017Gag-Pol polyprotein 3.4.23.16 1.022
3sab F78Protease / 1.022
4djq M86Pol polyprotein / 1.022
3mxe K54Gag-Pol polyprotein 3.4.23.16 1.021
3vfb 031Gag-Pol polyprotein 3.4.23.16 1.021
3ekv 478Gag-Pol polyprotein 3.4.23.16 1.013
2ieo 017Protease / 1.009
4djo MK5Pol polyprotein / 1.008
4i8z G08Gag-Pol polyprotein 3.4.23.16 1.008
3ggu 017Gag-Pol polyprotein 3.4.23.16 1.004
4njt 017Protease / 0.992
4q1x 017Gag-Pol polyprotein 3.4.23.16 0.985
2i0a MUIProtease / 0.979
3s54 017Protease / 0.973
3nu6 478Gag-Pol polyprotein 3.4.23.16 0.970
3ucb 017Gag-Pol polyprotein / 0.957
4j54 G52Gag-Pol polyprotein 3.4.23.16 0.957
3sa7 55AProtease / 0.956
3ekt 017Gag-Pol polyprotein 3.4.23.16 0.955
3sa3 23XProtease / 0.951
3gi6 D78Gag-Pol polyprotein / 0.950
3nuo 478Gag-Pol polyprotein 3.4.23.16 0.950
3gi4 K60Gag-Pol polyprotein / 0.949
4j55 031Gag-Pol polyprotein 3.4.23.16 0.947
2qi5 MZ7Gag-Pol polyprotein / 0.945
2qi6 MZ8Gag-Pol polyprotein / 0.945
3nu3 478Gag-Pol polyprotein 3.4.23.16 0.945
3nuj 478Gag-Pol polyprotein 3.4.23.16 0.944
3oxv 478Gag-Pol polyprotein 3.4.23.16 0.943
3gi5 K62Gag-Pol polyprotein / 0.939
3nu4 478Gag-Pol polyprotein 3.4.23.16 0.934
2qi0 MZ3Gag-Pol polyprotein / 0.930
3em3 478Gag-Pol polyprotein 3.4.23.16 0.929
3nu9 478Gag-Pol polyprotein 3.4.23.16 0.925
1z1r HBHGag-Pol polyprotein 3.4.23.16 0.922
2qi7 MZ9Gag-Pol polyprotein / 0.915
3nu5 478Gag-Pol polyprotein 3.4.23.16 0.911
3i7e DJRGag-Pol polyprotein / 0.907
3jw2 017Gag-Pol polyprotein 3.4.23.16 0.905
3sa5 A69Protease / 0.905
2i0d MUTProtease / 0.903
3sa4 F72Protease / 0.903
3o9f K2DGag-Pol polyprotein / 0.900
4rvj 478Protease / 0.900
3sa6 F71Protease / 0.893
2fde 385Gag-Pol polyprotein 3.4.23.16 0.892
2hs2 017Protease / 0.890
2qhy MZ1Gag-Pol polyprotein / 0.889
3oxx DR7Gag-Pol polyprotein 3.4.23.16 0.887
3sac AF8Protease / 0.886
2psu MUUProtease / 0.878
3o9b K2APol polyprotein / 0.876
3sm2 478Putative gag-pro-pol polyprotein / 0.871
2qi3 MZ5Gag-Pol polyprotein / 0.869
3eky DR7Gag-Pol polyprotein 3.4.23.16 0.862
4djr 0KJPol polyprotein / 0.861
3o9g F53Gag-Pol polyprotein / 0.854
1z1h HBBGag-Pol polyprotein 3.4.23.16 0.847
3el1 DR7Gag-Pol polyprotein 3.4.23.16 0.847
2qak 1UNGag-Pol polyprotein 3.4.23.16 0.842
1npv L27Gag-Pol polyprotein 3.4.23.16 0.839
2qhz MZ2Gag-Pol polyprotein / 0.835
2nmy ROCProtease / 0.834
2psv MUVProtease / 0.833
3s43 478Protease / 0.831
3tl9 ROCGag-Pol polyprotein 3.4.23.16 0.829
4j5j 478Gag-Pol polyprotein 3.4.23.16 0.823
2fxe DR7Gag-Pol polyprotein 3.4.23.16 0.821
3d1y ROCGag-Pol polyprotein 3.4.23.16 0.818
4hla 017Gag-Pol polyprotein 3.4.23.16 0.814
3kfn 3TLGag-Pol polyprotein / 0.808
3k4v ROCGag-Pol polyprotein 3.4.23.16 0.806
3el9 DR7Gag-Pol polyprotein 3.4.23.16 0.805
1ida 0POGag-Pol polyprotein 3.4.23.47 0.803
2hc0 AB2Protease / 0.803
1pro A88Gag-Pol polyprotein / 0.801
2i4w KGQProtease / 0.801
1b6l PI4Gag-Pol polyprotein 3.4.23.16 0.799
1b6m PI6Gag-Pol polyprotein 3.4.23.16 0.793
1mrw K57Gag-Pol polyprotein 3.4.23.16 0.792
3el4 ROCGag-Pol polyprotein 3.4.23.16 0.792
3cyx ROCGag-Pol polyprotein 3.4.23.16 0.787
3ec0 GRLGag-Pol polyprotein 3.4.23.47 0.782
2nnk ROCProtease / 0.778
2pym 1UNGag-Pol polyprotein 3.4.23.16 0.778
4qgi ROCGag-Pol polyprotein 3.4.23.16 0.777
1hih C20Gag-Pol polyprotein / 0.774
3em4 DR7Gag-Pol polyprotein 3.4.23.16 0.773
3s85 LK0Gag-Pol polyprotein / 0.773
2fle AIProtease / 0.768
2q63 1UNGag-Pol polyprotein 3.4.23.16 0.766
3nxe 2NCProtease / 0.766
2a1e IPFGag-Pol polyprotein 3.4.23.16 0.765
1sdt MK1Gag-Pol polyprotein 3.4.23.16 0.763
2p3c 3TLProtease / 0.763
3ndu ROCGag-Pol polyprotein 3.4.23.16 0.763
3ekw DR7Gag-Pol polyprotein 3.4.23.16 0.761
3ekq ROCGag-Pol polyprotein 3.4.23.16 0.760
3nwx KVSGag-Pol polyprotein 3.4.23.16 0.760
1izh Q50Protease / 0.758
2f3k RO1Protease / 0.754
4gb2 0LQGag-Pol polyprotein 2.7.7.49 0.753
3nyg 2NCGag-Pol polyprotein 3.4.23.16 0.752
3kdb 006Gag-Pol polyprotein 3.4.23.16 0.750
1b6k PI5Gag-Pol polyprotein 3.4.23.16 0.749
3nwq 2NCGag-Pol polyprotein 3.4.23.16 0.749
3s56 ROCProtease / 0.748
3qp0 NI8Gag-Pol polyprotein 3.4.23.16 0.747
2cen 4AHProtease / 0.746
2p3d 3TLProtease / 0.746
1a8g 2Z4Gag-Pol polyprotein 3.4.23.16 0.745
3kf0 3TLGag-Pol polyprotein / 0.744
3kfs 3TLGag-Pol polyprotein / 0.744
2cem 2AHPol protein / 0.743
1sdv MK1Gag-Pol polyprotein 3.4.23.16 0.742
1yt9 OISGag-Pol polyprotein / 0.741
3pwr ROCGag-Pol polyprotein 3.4.23.16 0.740
2bbb HH1Gag-Pol polyprotein 3.4.23.16 0.739
1ffi 2NCGag-Pol polyprotein 3.4.23.16 0.737
1npa 3NHGag-Pol polyprotein 3.4.23.16 0.736
1npw LGZGag-Pol polyprotein 3.4.23.16 0.736
3el0 1UNGag-Pol polyprotein 3.4.23.16 0.736
2bpw 1INGag-Pol polyprotein 3.4.23.16 0.735
2aqu DR7Gag-Pol polyprotein 3.4.23.16 0.734
2bb9 AKCGag-Pol polyprotein 3.4.23.16 0.734
1ohr 1UNV-1 PROTEASE protein / 0.733
4k4p 3TLGag-Pol polyprotein / 0.733
1zsr 0ZTGag-Pol polyprotein 3.4.23.16 0.732
2nnp ROCProtease / 0.732
3d1x ROCGag-Pol polyprotein 3.4.23.16 0.732
3ufn ROCGag-Pol polyprotein / 0.732
1jld 0PPGag-Pol polyprotein / 0.731
1odw 0E8Gag-Pol polyprotein 3.4.23.16 0.731
1fff 0Q4Gag-Pol polyprotein 3.4.23.16 0.729
3kfr 3TLGag-Pol polyprotein / 0.723
1fg6 2NCGag-Pol polyprotein 3.4.23.16 0.722
1mrx K57Gag-Pol polyprotein 3.4.23.16 0.722
1k6t XN1Gag-Pol polyprotein 3.4.23.16 0.721
1qbt 146Gag-Pol polyprotein 3.4.23.16 0.721
3i2l 2NCProtease / 0.721
2uxz HI1Gag-Pol polyprotein 3.4.23.16 0.720
1bdr IM1Gag-Pol polyprotein 3.4.23.16 0.717
2avs MK1Gag-Pol polyprotein 3.4.23.16 0.716
2p3b 3TLV-1 PROTEASE protein / 0.716
2p3b 3TLV-1 protease / 0.716
1rl8 RITGag-Pol polyprotein 3.4.23.16 0.715
1tcx IM1Gag-Pol polyprotein 3.4.23.16 0.714
3ggx GGXGag-Pol polyprotein / 0.712
1ebz BECGag-Pol polyprotein 3.4.23.16 0.711
3qn8 NI7Gag-Pol polyprotein 3.4.23.16 0.711
3jvw DMPGag-Pol polyprotein 3.4.23.16 0.708
3so9 017Pol protein / 0.707
3gga GGWGag-Pol polyprotein / 0.706
1fej 2NCGag-Pol polyprotein 3.4.23.16 0.704
3slz 3TLPutative gag-pro-pol polyprotein / 0.704
1mtr PI6Gag-Pol polyprotein 3.4.23.16 0.703
2b60 RITPol polyprotein / 0.703
1siv PSIGag-Pol polyprotein / 0.701
1hpv 478Gag-Pol polyprotein / 0.700
3wsj MK1Protease / 0.696
1ajv NMBGag-Pol polyprotein 3.4.23.16 0.695
1hvk A79Gag-Pol polyprotein / 0.695
1zsf 0ZSGag-Pol polyprotein 3.4.23.16 0.695
2q64 1UNGag-Pol polyprotein 3.4.23.16 0.695
2rkf AB1Pol protein / 0.694
1bwa XV6Gag-Pol polyprotein 3.4.23.16 0.693
3dck KVIProtease / 0.693
1b6p PI7Gag-Pol polyprotein 3.4.23.16 0.692
2avm 2NCGag-Pol polyprotein 3.4.23.16 0.692
1k2c 0Q4Gag-Pol polyprotein 3.4.23.16 0.691
3dcr KVSProtease / 0.690
3hzc 2NCProtease / 0.689
3ttp 017Gag-Pol polyprotein 3.4.23.16 0.689
1a9m U0EGag-Pol polyprotein / 0.685
1w5w BE4Gag-Pol polyprotein 3.4.23.16 0.685
3bgb LJGGag-Pol polyprotein 3.4.23.16 0.685
2avv MK1Gag-Pol polyprotein 3.4.23.16 0.684
2bpy 3INGag-Pol polyprotein 3.4.23.16 0.684
1sdu MK1Gag-Pol polyprotein 3.4.23.16 0.683
1fgc 2NCGag-Pol polyprotein 3.4.23.16 0.680
1fg8 0Q4Gag-Pol polyprotein 3.4.23.16 0.679
1qbu 846Gag-Pol polyprotein 3.4.23.16 0.679
2qi1 MZ4Gag-Pol polyprotein / 0.679
1hiv 1ZKGag-Pol polyprotein / 0.678
1ivq 0PXGag-Pol polyprotein / 0.677
1msn JE2Gag-Pol polyprotein 3.4.23.16 0.677
1ec3 MS3Gag-Pol polyprotein 3.4.23.16 0.676
2a4f AAUV-1 protease / 0.676
3qro NK9Gag-Pol polyprotein 3.4.23.16 0.676
2pk6 O33V-1 protease / 0.675
2xyf G40Gag-Pol polyprotein / 0.675
3kdc JZPGag-Pol polyprotein 3.4.23.16 0.675
4fe6 0TQGag-Pol polyprotein 3.4.23.16 0.675
3qih NI7Gag-Pol polyprotein 3.4.23.16 0.674
1hos PHPGag-Pol polyprotein / 0.671
1bwb 146Gag-Pol polyprotein 3.4.23.16 0.670
1ec2 BEJGag-Pol polyprotein 3.4.23.16 0.670
1ff0 2NCGag-Pol polyprotein 3.4.23.16 0.670
1d4l PI9Gag-Pol polyprotein 3.4.23.16 0.669
2qnp QN2Gag-Pol polyprotein 3.4.23.16 0.669
2uy0 HV1Gag-Pol polyprotein 3.4.23.16 0.669
3nls 016Gag-Pol polyprotein 3.4.23.16 0.669
3zpt M8YGag-Pol polyprotein 3.4.23.16 0.669
2z54 AB1Gag-Pol polyprotein 3.4.23.16 0.667
1dw6 0Q4Gag-Pol polyprotein 3.4.23.16 0.666
1n49 RITGag-Pol polyprotein 3.4.23.16 0.666
1wbm BLLPol protein / 0.666
3ndw RITGag-Pol polyprotein 3.4.23.16 0.666
3ogq AB1Pol polyprotein / 0.666
1d4j MSCGag-Pol polyprotein 3.4.23.16 0.665
1a94 0Q4Gag-Pol polyprotein 3.4.23.16 0.664
2pwc G3GGag-Pol polyprotein 3.4.23.16 0.664
1hsh MK1Gag-Pol polyprotein / 0.663
2cej 1AHPol protein / 0.661
3bxr DRRGag-Pol polyprotein 3.4.23.16 0.661
3ndt ROCGag-Pol polyprotein 3.4.23.16 0.661
1k1u 0Q4Gag-Pol polyprotein 3.4.23.16 0.659
3tof 076Gag-Pol polyprotein 2.7.7.49 0.659
2fxd DR7Pol polyprotein / 0.655
2p3a 3TLPol protein / 0.654
1daz 0Q4Gag-Pol polyprotein 3.4.23.16 0.653
2pqz G0GGag-Pol polyprotein 3.4.23.16 0.653
3tog 079Gag-Pol polyprotein 2.7.7.49 0.653
2rkg AB1Pol protein / 0.650