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
PDB ID | HET | Uniprot Name | EC Number |
---|---|---|---|
3s43 | 478 | Protease |
PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
---|---|---|---|---|---|
3s43 | 478 | Protease | / | 1.178 | |
3nu3 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 1.108 | |
3nu5 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 1.085 | |
3nuo | 478 | Gag-Pol polyprotein | 3.4.23.16 | 1.079 | |
3nu4 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 1.075 | |
3nuj | 478 | Gag-Pol polyprotein | 3.4.23.16 | 1.036 | |
4rvj | 478 | Protease | / | 1.011 | |
3nu6 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 1.008 | |
3oxv | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.973 | |
3em3 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.953 | |
4j5j | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.946 | |
3s54 | 017 | Protease | / | 0.943 | |
4q1y | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.943 | |
3nu9 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.937 | |
3o99 | K13 | Pol polyprotein | / | 0.919 | |
4q1w | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.907 | |
4hdp | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.903 | |
2hb3 | GRL | Protease | / | 0.901 | |
3lzv | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.901 | |
2hs1 | 017 | Protease | / | 0.896 | |
4q1x | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.894 | |
1t3r | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.888 | |
1t7i | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.887 | |
2f80 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.887 | |
4dqf | 017 | Gag-Pol polyprotein | / | 0.887 | |
2hs2 | 017 | Protease | / | 0.885 | |
4djp | M73 | Pol polyprotein | / | 0.884 | |
3o9e | A60 | Pol polyprotein | / | 0.882 | |
3sa9 | A68 | Protease | / | 0.882 | |
3em6 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.878 | |
3t3c | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.878 | |
4ye3 | G04 | Gag-Pol polyprotein | 3.4.23.16 | 0.873 | |
3sa7 | 55A | Protease | / | 0.871 | |
3oy4 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.869 | |
2ieo | 017 | Protease | / | 0.868 | |
3d20 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.868 | |
4kb9 | G79 | Protease | / | 0.867 | |
3ekv | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.866 | |
3pwm | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.866 | |
3ok9 | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.865 | |
3mws | 017 | Pol protein | / | 0.863 | |
2ien | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.860 | |
3sa8 | K83 | Protease | / | 0.857 | |
3ucb | 017 | Gag-Pol polyprotein | / | 0.857 | |
3djk | G55 | Gag-Pol polyprotein | 3.4.23.16 | 0.854 | |
3sab | F78 | Protease | / | 0.854 | |
3d1z | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.851 | |
4njt | 017 | Protease | / | 0.851 | |
2f81 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.849 | |
3jvy | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.849 | |
3sac | AF8 | Protease | / | 0.848 | |
4dfg | 0JV | Gag-Pol polyprotein | 3.4.23.16 | 0.848 | |
4dqe | 017 | Gag-Pol polyprotein | / | 0.848 | |
3dk1 | G05 | Gag-Pol polyprotein | 3.4.23.16 | 0.846 | |
4dqc | 017 | Gag-Pol polyprotein | / | 0.845 | |
4dqh | 017 | Gag-Pol polyprotein | / | 0.845 | |
3sm2 | 478 | Putative gag-pro-pol polyprotein | / | 0.842 | |
4njs | G08 | Protease | / | 0.841 | |
3o9h | K2E | Gag-Pol polyprotein | / | 0.840 | |
3gi4 | K60 | Gag-Pol polyprotein | / | 0.839 | |
4dqb | 017 | Gag-Pol polyprotein | / | 0.839 | |
3ec0 | GRL | Gag-Pol polyprotein | 3.4.23.47 | 0.838 | |
2qd6 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.837 | |
3sa3 | 23X | Protease | / | 0.835 | |
3bvb | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.834 | |
3o9a | K14 | Pol polyprotein | / | 0.834 | |
3o9g | F53 | Gag-Pol polyprotein | / | 0.834 | |
4hdb | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.833 | |
2qci | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.832 | |
2qi5 | MZ7 | Gag-Pol polyprotein | / | 0.832 | |
4djr | 0KJ | Pol polyprotein | / | 0.832 | |
2f8g | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.831 | |
4heg | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.831 | |
3oxw | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.827 | |
3mxe | K54 | Gag-Pol polyprotein | 3.4.23.16 | 0.826 | |
3o9c | K20 | Pol polyprotein | / | 0.826 | |
2qi6 | MZ8 | Gag-Pol polyprotein | / | 0.825 | |
3o9b | K2A | Pol polyprotein | / | 0.825 | |
3qaa | G04 | Gag-Pol polyprotein | 3.4.23.16 | 0.823 | |
3o9d | K19 | Pol polyprotein | / | 0.822 | |
3cyw | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.821 | |
2z4o | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.820 | |
3ecg | 065 | Gag-Pol polyprotein | 3.4.23.47 | 0.820 | |
3o9f | K2D | Gag-Pol polyprotein | / | 0.820 | |
3ggu | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.818 | |
2qd8 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.817 | |
3r4b | 74T | Gag-Pol polyprotein | / | 0.817 | |
2fdd | 385 | Pol protein | / | 0.816 | |
2i0d | MUT | Protease | / | 0.816 | |
3vf7 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.814 | |
4hla | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.814 | |
1npa | 3NH | Gag-Pol polyprotein | 3.4.23.16 | 0.812 | |
1npv | L27 | Gag-Pol polyprotein | 3.4.23.16 | 0.812 | |
1npw | LGZ | Gag-Pol polyprotein | 3.4.23.16 | 0.812 | |
2qd7 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.811 | |
2qi4 | MZ6 | Gag-Pol polyprotein | / | 0.810 | |
1xl5 | 190 | Gag-Pol polyprotein | 3.4.23.16 | 0.809 | |
2i0a | MUI | Protease | / | 0.809 | |
3sa5 | A69 | Protease | / | 0.807 | |
4hdf | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.807 | |
1d4l | PI9 | Gag-Pol polyprotein | 3.4.23.16 | 0.806 | |
3gi5 | K62 | Gag-Pol polyprotein | / | 0.806 | |
3o9i | A61 | Gag-Pol polyprotein | / | 0.805 | |
3lzu | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.804 | |
2aqu | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.803 | |
3jw2 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.802 | |
3mxd | K53 | Gag-Pol polyprotein | 3.4.23.16 | 0.801 | |
1bdr | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.800 | |
3i7e | DJR | Gag-Pol polyprotein | / | 0.800 | |
3sa6 | F71 | Protease | / | 0.800 | |
3st5 | G89 | Gag-Pol polyprotein | 3.4.23.16 | 0.798 | |
3vf5 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.796 | |
4j54 | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.796 | |
2qi3 | MZ5 | Gag-Pol polyprotein | / | 0.795 | |
2qhy | MZ1 | Gag-Pol polyprotein | / | 0.793 | |
4j55 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.789 | |
3oxx | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.787 | |
3ekt | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.786 | |
2bb9 | AKC | Gag-Pol polyprotein | 3.4.23.16 | 0.783 | |
3vfb | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.783 | |
2qi0 | MZ3 | Gag-Pol polyprotein | / | 0.782 | |
2wkz | 5AH | Gag-Pol polyprotein | / | 0.782 | |
3eky | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.782 | |
3gi6 | D78 | Gag-Pol polyprotein | / | 0.780 | |
2psu | MUU | Protease | / | 0.777 | |
3el1 | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.776 | |
3saa | 77F | Protease | / | 0.776 | |
4djo | MK5 | Pol polyprotein | / | 0.775 | |
2qi7 | MZ9 | Gag-Pol polyprotein | / | 0.774 | |
3lzs | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.774 | |
4djq | M86 | Pol polyprotein | / | 0.774 | |
2idw | 017 | Protease | / | 0.772 | |
2fxe | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.771 | |
2i4x | KGQ | Protease | / | 0.771 | |
2i4u | DJR | Protease | / | 0.769 | |
2i4d | QFI | Protease | / | 0.767 | |
2a4f | AAU | V-1 protease | / | 0.766 | |
3vfa | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.766 | |
2cem | 2AH | Pol protein | / | 0.763 | |
3i6o | GR6 | Gag-Pol polyprotein | 3.4.23.16 | 0.763 | |
3sa4 | F72 | Protease | / | 0.763 | |
1mrw | K57 | Gag-Pol polyprotein | 3.4.23.16 | 0.762 | |
2a1e | IPF | Gag-Pol polyprotein | 3.4.23.16 | 0.758 | |
3el4 | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.752 | |
1hpx | KNI | Gag-Pol polyprotein | / | 0.748 | |
2i4w | KGQ | Protease | / | 0.745 | |
3nls | 016 | Gag-Pol polyprotein | 3.4.23.16 | 0.744 | |
1tcx | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.743 | |
3ttp | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.738 | |
3em4 | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.737 | |
1ohr | 1UN | V-1 PROTEASE protein | / | 0.736 | |
1z1r | HBH | Gag-Pol polyprotein | 3.4.23.16 | 0.734 | |
2i4v | DJR | V-1 protease | / | 0.734 | |
2bqv | A1A | Protease | / | 0.732 | |
2f3k | RO1 | Protease | / | 0.732 | |
3s56 | ROC | Protease | / | 0.729 | |
1b6l | PI4 | Gag-Pol polyprotein | 3.4.23.16 | 0.728 | |
3el9 | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.726 | |
3tl9 | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.726 | |
1t7j | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.725 | |
3kfr | 3TL | Gag-Pol polyprotein | / | 0.724 | |
2p3c | 3TL | Protease | / | 0.722 | |
3ufn | ROC | Gag-Pol polyprotein | / | 0.722 | |
1hpv | 478 | Gag-Pol polyprotein | / | 0.721 | |
2fle | AI | Protease | / | 0.721 | |
3pwr | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.721 | |
1z1h | HBB | Gag-Pol polyprotein | 3.4.23.16 | 0.720 | |
2fde | 385 | Gag-Pol polyprotein | 3.4.23.16 | 0.720 | |
2p3a | 3TL | Pol protein | / | 0.714 | |
3d1y | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.714 | |
1hih | C20 | Gag-Pol polyprotein | / | 0.713 | |
1ec1 | BEE | Gag-Pol polyprotein | 3.4.23.16 | 0.708 | |
1yt9 | OIS | Gag-Pol polyprotein | / | 0.708 | |
1siv | PSI | Gag-Pol polyprotein | / | 0.707 | |
2bbb | HH1 | Gag-Pol polyprotein | 3.4.23.16 | 0.706 | |
1ida | 0PO | Gag-Pol polyprotein | 3.4.23.47 | 0.704 | |
1sdt | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.703 | |
2cen | 4AH | Protease | / | 0.703 | |
2qak | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.703 | |
1t7k | BH0 | Gag-Pol polyprotein | 3.4.23.16 | 0.702 | |
3el0 | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.699 | |
1qbr | XV6 | Gag-Pol polyprotein | 3.4.23.16 | 0.696 | |
4k4p | 3TL | Gag-Pol polyprotein | / | 0.694 | |
1hvj | A78 | Gag-Pol polyprotein | / | 0.692 | |
2nnp | ROC | Protease | / | 0.692 | |
3k4v | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.691 | |
1b6p | PI7 | Gag-Pol polyprotein | 3.4.23.16 | 0.690 | |
2avs | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.689 | |
2qnn | QN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.689 | |
3ekx | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.689 | |
1d4i | BEG | Gag-Pol polyprotein | 3.4.23.16 | 0.684 | |
3slz | 3TL | Putative gag-pro-pol polyprotein | / | 0.684 | |
3kdb | 006 | Gag-Pol polyprotein | 3.4.23.16 | 0.683 | |
1iiq | 0ZR | Gag-Pol polyprotein | 3.4.23.16 | 0.682 | |
1ody | LP1 | Gag-Pol polyprotein | 3.4.23.16 | 0.682 | |
2avv | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.681 | |
1m0b | 0ZQ | Gag-Pol polyprotein | 3.4.23.16 | 0.679 | |
2pk6 | O33 | V-1 protease | / | 0.679 | |
1hxb | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.677 | |
1zsr | 0ZT | Gag-Pol polyprotein | 3.4.23.16 | 0.677 | |
2pym | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.676 | |
3d1x | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.676 | |
1mrx | K57 | Gag-Pol polyprotein | 3.4.23.16 | 0.675 | |
2p3d | 3TL | Protease | / | 0.675 | |
3bxs | DRS | Gag-Pol polyprotein | 3.4.23.16 | 0.675 | |
1izh | Q50 | Protease | / | 0.674 | |
1msn | JE2 | Gag-Pol polyprotein | 3.4.23.16 | 0.674 | |
2qhz | MZ2 | Gag-Pol polyprotein | / | 0.673 | |
3ekw | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.672 | |
1mui | AB1 | Protease | / | 0.671 | |
1hvr | XK2 | Gag-Pol polyprotein | / | 0.670 | |
2q63 | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.670 | |
3a2o | KNJ | Gag-Pol polyprotein | 3.4.23.16 | 0.670 | |
3fx5 | KNI | Gag-Pol polyprotein | 3.4.23.16 | 0.669 | |
1vij | BAY | Gag-Pol polyprotein | / | 0.668 | |
3ndw | RIT | Gag-Pol polyprotein | 3.4.23.16 | 0.668 | |
1dmp | DMQ | Gag-Pol polyprotein | 3.4.23.16 | 0.667 | |
2q54 | MU1 | Protease | / | 0.667 | |
1izi | Q50 | Gag-Pol polyprotein | 3.4.23.16 | 0.666 | |
2nmy | ROC | Protease | / | 0.666 | |
2wl0 | 5AH | Gag-Pol polyprotein | / | 0.666 | |
1b6k | PI5 | Gag-Pol polyprotein | 3.4.23.16 | 0.665 | |
1k1u | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.665 | |
1sdu | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.664 | |
1b6m | PI6 | Gag-Pol polyprotein | 3.4.23.16 | 0.663 | |
1mtr | PI6 | Gag-Pol polyprotein | 3.4.23.16 | 0.659 | |
2rkf | AB1 | Pol protein | / | 0.659 | |
3bva | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.657 | |
4qgi | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.657 | |
3hzc | 2NC | Protease | / | 0.656 | |
2uy0 | HV1 | Gag-Pol polyprotein | 3.4.23.16 | 0.655 | |
1fff | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.653 | |
1k2b | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.653 | |
1sh9 | RIT | Gag-Pol polyprotein | 3.4.23.16 | 0.653 | |
2nnk | ROC | Protease | / | 0.653 | |
2xyf | G40 | Gag-Pol polyprotein | / | 0.653 | |
1qbu | 846 | Gag-Pol polyprotein | 3.4.23.16 | 0.652 | |
1sdv | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.652 | |
2fxd | DR7 | Pol polyprotein | / | 0.651 | |
1ec3 | MS3 | Gag-Pol polyprotein | 3.4.23.16 | 0.650 |