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 |
---|---|---|---|
1b6p | PI7 | Gag-Pol polyprotein | 3.4.23.16 |
PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
---|---|---|---|---|---|
1b6p | PI7 | Gag-Pol polyprotein | 3.4.23.16 | 1.488 | |
1b6k | PI5 | Gag-Pol polyprotein | 3.4.23.16 | 1.175 | |
1mtr | PI6 | Gag-Pol polyprotein | 3.4.23.16 | 1.115 | |
1b6m | PI6 | Gag-Pol polyprotein | 3.4.23.16 | 1.073 | |
1iiq | 0ZR | Gag-Pol polyprotein | 3.4.23.16 | 0.982 | |
1eby | BEB | Gag-Pol polyprotein | 3.4.23.16 | 0.879 | |
1a94 | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.875 | |
3bxr | DRR | Gag-Pol polyprotein | 3.4.23.16 | 0.864 | |
1ebw | BEI | Gag-Pol polyprotein | 3.4.23.16 | 0.842 | |
1wbk | 568 | Pol protein | / | 0.830 | |
1zsr | 0ZT | Gag-Pol polyprotein | 3.4.23.16 | 0.824 | |
1ec3 | MS3 | Gag-Pol polyprotein | 3.4.23.16 | 0.815 | |
2fxe | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.811 | |
1daz | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.803 | |
3i2l | 2NC | Protease | / | 0.800 | |
1fff | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.798 | |
1k2b | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.797 | |
1dw6 | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.796 | |
1sbg | IM1 | Gag-Pol polyprotein | / | 0.795 | |
2cen | 4AH | Protease | / | 0.793 | |
3bgb | LJG | Gag-Pol polyprotein | 3.4.23.16 | 0.792 | |
3eky | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.792 | |
3kfr | 3TL | Gag-Pol polyprotein | / | 0.792 | |
1odw | 0E8 | Gag-Pol polyprotein | 3.4.23.16 | 0.789 | |
2z54 | AB1 | Gag-Pol polyprotein | 3.4.23.16 | 0.789 | |
3bxs | DRS | Gag-Pol polyprotein | 3.4.23.16 | 0.789 | |
2cem | 2AH | Pol protein | / | 0.787 | |
1d4i | BEG | Gag-Pol polyprotein | 3.4.23.16 | 0.786 | |
2pk6 | O33 | V-1 protease | / | 0.785 | |
2avm | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.783 | |
1k2c | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.782 | |
2wkz | 5AH | Gag-Pol polyprotein | / | 0.781 | |
1z1h | HBB | Gag-Pol polyprotein | 3.4.23.16 | 0.780 | |
2uy0 | HV1 | Gag-Pol polyprotein | 3.4.23.16 | 0.779 | |
3el1 | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.776 | |
1k1u | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.773 | |
3sa7 | 55A | Protease | / | 0.770 | |
1hvi | A77 | Protease | / | 0.767 | |
2q55 | MU0 | Protease | / | 0.763 | |
1fg6 | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.761 | |
1hvs | A77 | Gag-Pol polyprotein | / | 0.761 | |
3oxx | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.761 | |
4a6c | QG9 | Gag-Pol polyprotein | 3.4.23.16 | 0.761 | |
1fgc | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.760 | |
2qhc | AB1 | Protease | / | 0.756 | |
1m0b | 0ZQ | Gag-Pol polyprotein | 3.4.23.16 | 0.755 | |
1ec2 | BEJ | Gag-Pol polyprotein | 3.4.23.16 | 0.754 | |
3sab | F78 | Protease | / | 0.753 | |
1fg8 | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.751 | |
1hvk | A79 | Gag-Pol polyprotein | / | 0.750 | |
1d4l | PI9 | Gag-Pol polyprotein | 3.4.23.16 | 0.747 | |
1ebz | BEC | Gag-Pol polyprotein | 3.4.23.16 | 0.747 | |
3ndw | RIT | Gag-Pol polyprotein | 3.4.23.16 | 0.746 | |
4gb2 | 0LQ | Gag-Pol polyprotein | 2.7.7.49 | 0.746 | |
2p3b | 3TL | V-1 PROTEASE protein | / | 0.744 | |
2p3b | 3TL | V-1 protease | / | 0.744 | |
3ndx | RIT | Gag-Pol polyprotein | 3.4.23.16 | 0.741 | |
1d4h | BEH | Gag-Pol polyprotein | 3.4.23.16 | 0.740 | |
1w5x | BE5 | Gag-Pol polyprotein | 3.4.23.16 | 0.740 | |
3jw2 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.739 | |
2aqu | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.737 | |
2bpx | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.736 | |
1rl8 | RIT | Gag-Pol polyprotein | 3.4.23.16 | 0.735 | |
1d4k | PI8 | Gag-Pol polyprotein | 3.4.23.16 | 0.734 | |
3kfn | 3TL | Gag-Pol polyprotein | / | 0.734 | |
1fej | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.733 | |
1ffi | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.733 | |
3nxe | 2NC | Protease | / | 0.733 | |
3s85 | LK0 | Gag-Pol polyprotein | / | 0.733 | |
2q5k | AB1 | Protease | / | 0.732 | |
3jvy | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.730 | |
3bvb | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.729 | |
1z1r | HBH | Gag-Pol polyprotein | 3.4.23.16 | 0.728 | |
1ff0 | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.727 | |
2qi7 | MZ9 | Gag-Pol polyprotein | / | 0.726 | |
2wl0 | 5AH | Gag-Pol polyprotein | / | 0.726 | |
1hsg | MK1 | Gag-Pol polyprotein | / | 0.725 | |
2r3t | G4G | Gag-Pol polyprotein | 3.4.23.16 | 0.725 | |
2rkf | AB1 | Pol protein | / | 0.725 | |
1ec1 | BEE | Gag-Pol polyprotein | 3.4.23.16 | 0.724 | |
1t7i | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.724 | |
2pk5 | 075 | Protease | / | 0.724 | |
1hvj | A78 | Gag-Pol polyprotein | / | 0.723 | |
1odx | 0E8 | Gag-Pol polyprotein | 3.4.23.16 | 0.723 | |
2qci | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.723 | |
3qro | NK9 | Gag-Pol polyprotein | 3.4.23.16 | 0.723 | |
1izi | Q50 | Gag-Pol polyprotein | 3.4.23.16 | 0.722 | |
1siv | PSI | Gag-Pol polyprotein | / | 0.722 | |
3s54 | 017 | Protease | / | 0.722 | |
3ecg | 065 | Gag-Pol polyprotein | 3.4.23.47 | 0.719 | |
1ebk | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.717 | |
2qi5 | MZ7 | Gag-Pol polyprotein | / | 0.717 | |
1d4j | MSC | Gag-Pol polyprotein | 3.4.23.16 | 0.716 | |
1w5v | BE3 | Gag-Pol polyprotein | 3.4.23.16 | 0.716 | |
2f80 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.716 | |
2hs2 | 017 | Protease | / | 0.716 | |
3fx5 | KNI | Gag-Pol polyprotein | 3.4.23.16 | 0.715 | |
3lzs | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.715 | |
3o99 | K13 | Pol polyprotein | / | 0.715 | |
3o9a | K14 | Pol polyprotein | / | 0.715 | |
3tof | 076 | Gag-Pol polyprotein | 2.7.7.49 | 0.715 | |
2aoe | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.714 | |
3bva | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.714 | |
3qpj | N4I | Gag-Pol polyprotein | 3.4.23.16 | 0.714 | |
1a8k | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.711 | |
2r43 | G3G | Gag-Pol polyprotein | 3.4.23.16 | 0.711 | |
4dqe | 017 | Gag-Pol polyprotein | / | 0.711 | |
3o9b | K2A | Pol polyprotein | / | 0.710 | |
3qrs | NK8 | Gag-Pol polyprotein | 3.4.23.16 | 0.710 | |
3vf7 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.710 | |
2qhy | MZ1 | Gag-Pol polyprotein | / | 0.709 | |
1ajx | AH1 | Gag-Pol polyprotein | 3.4.23.16 | 0.708 | |
1g35 | AHF | Gag-Pol polyprotein | 3.4.23.16 | 0.706 | |
4hdb | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.706 | |
4q1x | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.706 | |
3nu6 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.705 | |
1hvl | A76 | Gag-Pol polyprotein | / | 0.704 | |
2xyf | G40 | Gag-Pol polyprotein | / | 0.704 | |
3el5 | 1UN | Gag-Pol polyprotein | / | 0.704 | |
3toh | 079 | Gag-Pol polyprotein | 2.7.7.49 | 0.704 | |
1w5y | BE6 | Gag-Pol polyprotein | 3.4.23.16 | 0.703 | |
3i6o | GR6 | Gag-Pol polyprotein | 3.4.23.16 | 0.703 | |
3nwq | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.703 | |
2b60 | RIT | Pol polyprotein | / | 0.702 | |
3dck | KVI | Protease | / | 0.702 | |
2qnq | QN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.701 | |
3kdb | 006 | Gag-Pol polyprotein | 3.4.23.16 | 0.700 | |
3mws | 017 | Pol protein | / | 0.700 | |
3el9 | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.699 | |
3sa3 | 23X | Protease | / | 0.699 | |
3sa5 | A69 | Protease | / | 0.699 | |
2f81 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.697 | |
2xfj | VG5 | Beta-secretase 1 | 3.4.23.46 | 0.697 | |
4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.697 | |
2rkg | AB1 | Pol protein | / | 0.696 | |
4djp | M73 | Pol polyprotein | / | 0.696 | |
4k8s | 1QT | Beta-secretase 1 | 3.4.23.46 | 0.695 | |
1hvr | XK2 | Gag-Pol polyprotein | / | 0.694 | |
2qi4 | MZ6 | Gag-Pol polyprotein | / | 0.693 | |
2viz | VG4 | Beta-secretase 1 | 3.4.23.46 | 0.693 | |
1hxw | RIT | Gag-Pol polyprotein | / | 0.692 | |
4heg | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.692 | |
3hzc | 2NC | Protease | / | 0.691 | |
4k4p | 3TL | Gag-Pol polyprotein | / | 0.691 | |
4njt | 017 | Protease | / | 0.691 | |
1vij | BAY | Gag-Pol polyprotein | / | 0.690 | |
3s43 | 478 | Protease | / | 0.690 | |
4kb9 | G79 | Protease | / | 0.690 | |
1bdr | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.689 | |
1tcx | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.689 | |
2vij | C44 | Beta-secretase 1 | 3.4.23.46 | 0.689 | |
3o9e | A60 | Pol polyprotein | / | 0.689 | |
1a8g | 2Z4 | Gag-Pol polyprotein | 3.4.23.16 | 0.688 | |
3a2o | KNJ | Gag-Pol polyprotein | 3.4.23.16 | 0.688 | |
3bgc | LJH | Gag-Pol polyprotein | 3.4.23.16 | 0.688 | |
1dif | A85 | Gag-Pol polyprotein | / | 0.687 | |
3dcr | KVS | Protease | / | 0.687 | |
2i4w | KGQ | Protease | / | 0.686 | |
3djk | G55 | Gag-Pol polyprotein | 3.4.23.16 | 0.686 | |
4dpf | 0LG | Beta-secretase 1 | 3.4.23.46 | 0.686 | |
4ewo | 996 | Beta-secretase 1 | 3.4.23.46 | 0.686 | |
4fco | 0U4 | Beta-secretase 1 | 3.4.23.46 | 0.686 | |
2xfi | XFI | Beta-secretase 1 | 3.4.23.46 | 0.685 | |
2xfk | AA9 | Beta-secretase 1 | 3.4.23.46 | 0.685 | |
3ggx | GGX | Gag-Pol polyprotein | / | 0.685 | |
3vf5 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.685 | |
2i4v | DJR | V-1 protease | / | 0.684 | |
3o9f | K2D | Gag-Pol polyprotein | / | 0.684 | |
1hih | C20 | Gag-Pol polyprotein | / | 0.682 | |
1k6p | XN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.682 | |
3ggu | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.682 | |
3o9c | K20 | Pol polyprotein | / | 0.682 | |
1jld | 0PP | Gag-Pol polyprotein | / | 0.681 | |
3em3 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.681 | |
4ke1 | 1R6 | Beta-secretase 1 | 3.4.23.46 | 0.681 | |
3cyw | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.680 | |
3nyg | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.680 | |
3qi1 | C6A | Beta-secretase 1 | 3.4.23.46 | 0.680 | |
3sa9 | A68 | Protease | / | 0.680 | |
4njv | RIT | Protease | / | 0.680 | |
2fdd | 385 | Pol protein | / | 0.679 | |
2p3c | 3TL | Protease | / | 0.679 | |
2viy | VG3 | Beta-secretase 1 | 3.4.23.46 | 0.679 | |
3oy4 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.679 | |
4ke0 | 1R8 | Beta-secretase 1 | 3.4.23.46 | 0.679 | |
2vj6 | VG5 | Beta-secretase 1 | 3.4.23.46 | 0.678 | |
2bqv | A1A | Protease | / | 0.677 | |
3ckt | YDP | Gag-Pol polyprotein | 3.4.23.16 | 0.676 | |
1ajv | NMB | Gag-Pol polyprotein | 3.4.23.16 | 0.675 | |
1dmp | DMQ | Gag-Pol polyprotein | 3.4.23.16 | 0.675 | |
1mrw | K57 | Gag-Pol polyprotein | 3.4.23.16 | 0.675 | |
2wf2 | ZY2 | Beta-secretase 1 | 3.4.23.46 | 0.675 | |
3vfb | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.675 | |
3em6 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.673 | |
4j54 | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.673 | |
1t3r | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.672 | |
2b8l | 5HA | Beta-secretase 1 | 3.4.23.46 | 0.672 | |
2qi6 | MZ8 | Gag-Pol polyprotein | / | 0.672 | |
3t3c | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.672 | |
4dqc | 017 | Gag-Pol polyprotein | / | 0.672 | |
3k5c | 0BI | Beta-secretase 1 | 3.4.23.46 | 0.671 | |
3mxd | K53 | Gag-Pol polyprotein | 3.4.23.16 | 0.671 | |
1bai | 0Q4 | Gag-Pro polyprotein | / | 0.670 | |
2b8v | 3BN | Beta-secretase 1 | 3.4.23.46 | 0.670 | |
2qnn | QN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.670 | |
3veu | 0GO | Beta-secretase 1 | 3.4.23.46 | 0.670 | |
3ttp | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.669 | |
1sdu | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.668 | |
3uhl | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.668 | |
4hla | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.668 | |
4njs | G08 | Protease | / | 0.668 | |
1c6x | 3IN | Protease | / | 0.667 | |
3ok9 | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.667 | |
1npa | 3NH | Gag-Pol polyprotein | 3.4.23.16 | 0.666 | |
1npw | LGZ | Gag-Pol polyprotein | 3.4.23.16 | 0.666 | |
3sa8 | K83 | Protease | / | 0.666 | |
3kdd | JZQ | Gag-Pol polyprotein | 3.4.23.16 | 0.665 | |
3lzu | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.665 | |
3pwm | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.665 | |
1msm | JE2 | Gag-Pol polyprotein | 3.4.23.16 | 0.663 | |
4dqb | 017 | Gag-Pol polyprotein | / | 0.663 | |
1bdq | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.662 | |
3ekx | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.662 | |
1c6y | MK1 | Protease | / | 0.661 | |
1yt9 | OIS | Gag-Pol polyprotein | / | 0.661 | |
3d1z | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.661 | |
3gi5 | K62 | Gag-Pol polyprotein | / | 0.661 | |
3kf0 | 3TL | Gag-Pol polyprotein | / | 0.661 | |
3nwx | KVS | Gag-Pol polyprotein | 3.4.23.16 | 0.661 | |
4qgi | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.661 | |
3oxv | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.660 | |
3qrm | NK7 | Gag-Pol polyprotein | 3.4.23.16 | 0.660 | |
1ida | 0PO | Gag-Pol polyprotein | 3.4.23.47 | 0.659 | |
2bb9 | AKC | Gag-Pol polyprotein | 3.4.23.16 | 0.659 | |
3vfa | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.659 | |
4dqh | 017 | Gag-Pol polyprotein | / | 0.659 | |
1k6v | XN2 | Gag-Pol polyprotein | 3.4.23.16 | 0.658 | |
3ec0 | GRL | Gag-Pol polyprotein | 3.4.23.47 | 0.658 | |
2fle | AI | Protease | / | 0.657 | |
2psv | MUV | Protease | / | 0.657 | |
2wez | ZYE | Beta-secretase 1 | 3.4.23.46 | 0.657 | |
3nuo | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.657 | |
3zps | EQM | Gag-Pol polyprotein | 3.4.23.16 | 0.657 | |
4hdp | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.657 | |
2wf0 | ZY0 | Beta-secretase 1 | 3.4.23.46 | 0.656 | |
2wf3 | ZY3 | Beta-secretase 1 | 3.4.23.46 | 0.656 | |
3i7e | DJR | Gag-Pol polyprotein | / | 0.656 | |
3tlh | 3TL | Gag-Pol polyprotein | 3.4.23.16 | 0.656 | |
1wbm | BLL | Pol protein | / | 0.655 | |
2vie | VG0 | Beta-secretase 1 | 3.4.23.46 | 0.655 | |
3kfs | 3TL | Gag-Pol polyprotein | / | 0.655 | |
1d4y | TPV | Gag-Pol polyprotein | 3.4.23.16 | 0.654 | |
2qhz | MZ2 | Gag-Pol polyprotein | / | 0.654 | |
3ekp | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.654 | |
2bpy | 3IN | Gag-Pol polyprotein | 3.4.23.16 | 0.653 | |
2nnp | ROC | Protease | / | 0.653 | |
2pwr | G4G | Gag-Pol polyprotein | 3.4.23.16 | 0.653 | |
2vj7 | VG6 | Beta-secretase 1 | 3.4.23.46 | 0.653 | |
3d1x | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.653 | |
3dk1 | G05 | Gag-Pol polyprotein | 3.4.23.16 | 0.653 | |
3gi6 | D78 | Gag-Pol polyprotein | / | 0.653 | |
2qd7 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.652 | |
2z4o | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.652 | |
3qbf | JHG | Gag-Pol polyprotein | 3.4.23.16 | 0.652 | |
2p8h | MY9 | Beta-secretase 1 | 3.4.23.46 | 0.651 | |
2vj9 | VG7 | Beta-secretase 1 | 3.4.23.46 | 0.651 | |
3cid | 318 | Beta-secretase 1 | 3.4.23.46 | 0.651 | |
3ekw | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.651 | |
3nu4 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.651 |