Binding Sites are compared using Shaper.
For more information, please see the following publication:
Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299
Binding Sites are considered as similar when the similarity value is greater than 0.44
PDB ID | HET | Uniprot Name | EC Number |
---|---|---|---|
3lix | E17 | Protease |
PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
---|---|---|---|---|---|
3lix | E17 | Protease | / | 1.000 | |
3liq | E14 | Protease | / | 0.580 | |
3lin | E13 | Protease | / | 0.544 | |
3liv | E16 | Protease | / | 0.516 | |
1ec2 | BEJ | Gag-Pol polyprotein | 3.4.23.16 | 0.503 | |
2uy0 | HV1 | Gag-Pol polyprotein | 3.4.23.16 | 0.495 | |
1vik | BAY | Gag-Pol polyprotein | / | 0.494 | |
2bpz | 3IN | Gag-Pol polyprotein | 3.4.23.16 | 0.491 | |
3lit | E15 | Protease | / | 0.488 | |
2bpy | 3IN | Gag-Pol polyprotein | 3.4.23.16 | 0.484 | |
3nu9 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.483 | |
1w5v | BE3 | Gag-Pol polyprotein | 3.4.23.16 | 0.482 | |
2a4f | AAU | V-1 protease | / | 0.482 | |
3s85 | LK0 | Gag-Pol polyprotein | / | 0.482 | |
2f80 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.481 | |
1xl5 | 190 | Gag-Pol polyprotein | 3.4.23.16 | 0.478 | |
2pk5 | 075 | Protease | / | 0.478 | |
4hdf | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.478 | |
4kb9 | G79 | Protease | / | 0.478 | |
1ec3 | MS3 | Gag-Pol polyprotein | 3.4.23.16 | 0.477 | |
2fxd | DR7 | Pol polyprotein | / | 0.477 | |
3i2l | 2NC | Protease | / | 0.477 | |
3zps | EQM | Gag-Pol polyprotein | 3.4.23.16 | 0.476 | |
3wsj | MK1 | Protease | / | 0.475 | |
3vf5 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.473 | |
1bv7 | XV6 | Gag-Pol polyprotein | 3.4.23.16 | 0.472 | |
2qd8 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.472 | |
2qhc | AB1 | Protease | / | 0.472 | |
2qnn | QN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.472 | |
2pk6 | O33 | V-1 protease | / | 0.471 | |
2wkz | 5AH | Gag-Pol polyprotein | / | 0.471 | |
3a2o | KNJ | Gag-Pol polyprotein | 3.4.23.16 | 0.471 | |
3nu6 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.471 | |
4a6b | QG8 | Gag-Pol polyprotein | 3.4.23.16 | 0.471 | |
1d4s | TPV | Gag-Pol polyprotein | 3.4.23.16 | 0.470 | |
1mes | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.470 | |
1w5x | BE5 | Gag-Pol polyprotein | 3.4.23.16 | 0.470 | |
2uxz | HI1 | Gag-Pol polyprotein | 3.4.23.16 | 0.470 | |
3ggx | GGX | Gag-Pol polyprotein | / | 0.470 | |
1hsh | MK1 | Gag-Pol polyprotein | / | 0.469 | |
1wbk | 568 | Pol protein | / | 0.469 | |
2ieo | 017 | Protease | / | 0.469 | |
2qi5 | MZ7 | Gag-Pol polyprotein | / | 0.469 | |
3oxv | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.469 | |
3sa9 | A68 | Protease | / | 0.469 | |
1ec0 | BED | Gag-Pol polyprotein | 3.4.23.16 | 0.468 | |
2bqv | A1A | Protease | / | 0.468 | |
2fdd | 385 | Pol protein | / | 0.468 | |
2qi3 | MZ5 | Gag-Pol polyprotein | / | 0.468 | |
3el4 | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.468 | |
4qgi | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.468 | |
4ye3 | G04 | Gag-Pol polyprotein | 3.4.23.16 | 0.468 | |
1meu | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.467 | |
3k4v | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.467 | |
3s54 | 017 | Protease | / | 0.467 | |
3tl9 | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.467 | |
1d4l | PI9 | Gag-Pol polyprotein | 3.4.23.16 | 0.466 | |
1d4y | TPV | Gag-Pol polyprotein | 3.4.23.16 | 0.466 | |
1ivp | 1ZK | Gag-Pol polyprotein | / | 0.466 | |
2aqu | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.466 | |
1c6z | ROC | Protease | / | 0.465 | |
1d4k | PI8 | Gag-Pol polyprotein | 3.4.23.16 | 0.465 | |
1hxw | RIT | Gag-Pol polyprotein | / | 0.465 | |
1npa | 3NH | Gag-Pol polyprotein | 3.4.23.16 | 0.465 | |
1npw | LGZ | Gag-Pol polyprotein | 3.4.23.16 | 0.465 | |
1sdv | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.465 | |
3jvw | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.465 | |
3ndt | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.465 | |
1tcx | IM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.464 | |
2qak | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.464 | |
2qd6 | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.464 | |
3d1z | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.464 | |
3kdc | JZP | Gag-Pol polyprotein | 3.4.23.16 | 0.464 | |
1g35 | AHF | Gag-Pol polyprotein | 3.4.23.16 | 0.463 | |
1msn | JE2 | Gag-Pol polyprotein | 3.4.23.16 | 0.463 | |
1wbm | BLL | Pol protein | / | 0.463 | |
2pqz | G0G | Gag-Pol polyprotein | 3.4.23.16 | 0.463 | |
3djk | G55 | Gag-Pol polyprotein | 3.4.23.16 | 0.463 | |
3el5 | 1UN | Gag-Pol polyprotein | / | 0.463 | |
3sa7 | 55A | Protease | / | 0.463 | |
3zpt | M8Y | Gag-Pol polyprotein | 3.4.23.16 | 0.463 | |
1yt9 | OIS | Gag-Pol polyprotein | / | 0.462 | |
2aoe | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.462 | |
3sa6 | F71 | Protease | / | 0.462 | |
1c70 | L75 | Protease | / | 0.461 | |
1hiv | 1ZK | Gag-Pol polyprotein | / | 0.461 | |
2f3k | RO1 | Protease | / | 0.461 | |
2fde | 385 | Gag-Pol polyprotein | 3.4.23.16 | 0.461 | |
2r43 | G3G | Gag-Pol polyprotein | 3.4.23.16 | 0.461 | |
2upj | U02 | Gag-Pol polyprotein | 3.4.23.16 | 0.461 | |
3ekv | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.461 | |
3saa | 77F | Protease | / | 0.461 | |
3vfb | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.461 | |
4njv | RIT | Protease | / | 0.461 | |
1d4h | BEH | Gag-Pol polyprotein | 3.4.23.16 | 0.460 | |
1ebz | BEC | Gag-Pol polyprotein | 3.4.23.16 | 0.460 | |
1hih | C20 | Gag-Pol polyprotein | / | 0.460 | |
1hvi | A77 | Protease | / | 0.460 | |
1hvj | A78 | Gag-Pol polyprotein | / | 0.460 | |
2bb9 | AKC | Gag-Pol polyprotein | 3.4.23.16 | 0.460 | |
2bpv | 1IN | Gag-Pol polyprotein | 3.4.23.16 | 0.460 | |
2f8g | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.460 | |
3ckt | YDP | Gag-Pol polyprotein | 3.4.23.16 | 0.460 | |
3kf0 | 3TL | Gag-Pol polyprotein | / | 0.460 | |
4a4q | UX9 | Pol protein | / | 0.460 | |
4rvj | 478 | Protease | / | 0.460 | |
1d4j | MSC | Gag-Pol polyprotein | 3.4.23.16 | 0.459 | |
1w5y | BE6 | Gag-Pol polyprotein | 3.4.23.16 | 0.459 | |
2b7z | MK1 | Gag-Pol polyprotein | / | 0.459 | |
2cej | 1AH | Pol protein | / | 0.459 | |
2cem | 2AH | Pol protein | / | 0.459 | |
2i4w | KGQ | Protease | / | 0.459 | |
2i4x | KGQ | Protease | / | 0.459 | |
3kdd | JZQ | Gag-Pol polyprotein | 3.4.23.16 | 0.459 | |
3st5 | G89 | Gag-Pol polyprotein | 3.4.23.16 | 0.459 | |
3zpu | M8B | Gag-Pol polyprotein | 3.4.23.16 | 0.459 | |
1c6y | MK1 | Protease | / | 0.458 | |
1dif | A85 | Gag-Pol polyprotein | / | 0.458 | |
1fg6 | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.458 | |
2hc0 | AB2 | Protease | / | 0.458 | |
2hs2 | 017 | Protease | / | 0.458 | |
3bgb | LJG | Gag-Pol polyprotein | 3.4.23.16 | 0.458 | |
3ttp | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.458 | |
1d4i | BEG | Gag-Pol polyprotein | 3.4.23.16 | 0.457 | |
2q5k | AB1 | Protease | / | 0.457 | |
1ebw | BEI | Gag-Pol polyprotein | 3.4.23.16 | 0.456 | |
1idb | 0DO | Gag-Pol polyprotein | / | 0.456 | |
1zsf | 0ZS | Gag-Pol polyprotein | 3.4.23.16 | 0.456 | |
2xyf | G40 | Gag-Pol polyprotein | / | 0.456 | |
3o9g | F53 | Gag-Pol polyprotein | / | 0.456 | |
4njs | G08 | Protease | / | 0.456 | |
2q64 | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.455 | |
3qbf | JHG | Gag-Pol polyprotein | 3.4.23.16 | 0.455 | |
2i4v | DJR | V-1 protease | / | 0.454 | |
3jvy | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
3kfs | 3TL | Gag-Pol polyprotein | / | 0.454 | |
4hdp | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.454 | |
1fg8 | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.453 | |
1zsr | 0ZT | Gag-Pol polyprotein | 3.4.23.16 | 0.453 | |
2bpw | 1IN | Gag-Pol polyprotein | 3.4.23.16 | 0.453 | |
2hb3 | GRL | Protease | / | 0.453 | |
2nnk | ROC | Protease | / | 0.453 | |
2p3b | 3TL | V-1 PROTEASE protein | / | 0.453 | |
2p3b | 3TL | V-1 protease | / | 0.453 | |
2p3d | 3TL | Protease | / | 0.453 | |
4djp | M73 | Pol polyprotein | / | 0.453 | |
1sdu | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
2qci | 065 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
2qhy | MZ1 | Gag-Pol polyprotein | / | 0.452 | |
2qnq | QN3 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
3jw2 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
3oxc | ROC | Protease | / | 0.452 | |
3qaa | G04 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
3qrm | NK7 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
4q1y | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
1daz | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.451 | |
1ec1 | BEE | Gag-Pol polyprotein | 3.4.23.16 | 0.451 | |
1qbs | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.451 | |
2cen | 4AH | Protease | / | 0.451 | |
2qi0 | MZ3 | Gag-Pol polyprotein | / | 0.451 | |
3aid | ARQ | Gag-Pol polyprotein | 3.4.23.16 | 0.451 | |
3mws | 017 | Pol protein | / | 0.451 | |
1hvl | A76 | Gag-Pol polyprotein | / | 0.450 | |
1sdt | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
2nmy | ROC | Protease | / | 0.450 | |
2pyn | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
3ekw | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
3em6 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
3lzv | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.450 | |
4djr | 0KJ | Pol polyprotein | / | 0.450 | |
1eby | BEB | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
1ffi | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
1sbg | IM1 | Gag-Pol polyprotein | / | 0.449 | |
3d1y | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
3kfn | 3TL | Gag-Pol polyprotein | / | 0.449 | |
3mxe | K54 | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
3ndu | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
3ndw | RIT | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
3vfa | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.449 | |
1qbu | 846 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
1t3r | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
2i4d | QFI | Protease | / | 0.448 | |
2wl0 | 5AH | Gag-Pol polyprotein | / | 0.448 | |
2xye | CXG | Gag-Pol polyprotein | / | 0.448 | |
3d1x | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
1b6k | PI5 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
1c6x | 3IN | Protease | / | 0.447 | |
1g2k | NM1 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
1izh | Q50 | Protease | / | 0.447 | |
1t7k | BH0 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
2avv | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
2r3t | G4G | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
2r5q | 1UN | Gag-Pol polyprotein | / | 0.447 | |
2z54 | AB1 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
3ekx | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
3ggu | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
3kfr | 3TL | Gag-Pol polyprotein | / | 0.447 | |
3nuj | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
3o9d | K19 | Pol polyprotein | / | 0.447 | |
3oxx | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
3qn8 | NI7 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
4dqc | 017 | Gag-Pol polyprotein | / | 0.447 | |
1a9m | U0E | Gag-Pol polyprotein | / | 0.446 | |
1hii | C20 | Gag-Pol polyprotein | / | 0.446 | |
1qbr | XV6 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
2q54 | MU1 | Protease | / | 0.446 | |
3dcr | KVS | Protease | / | 0.446 | |
3nu3 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
3nu4 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
4heg | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
1ajx | AH1 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
1hvk | A79 | Gag-Pol polyprotein | / | 0.445 | |
1met | DMP | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
2a1e | IPF | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
2pym | 1UN | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
2qi4 | MZ6 | Gag-Pol polyprotein | / | 0.445 | |
2r38 | G4G | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
2rkf | AB1 | Pol protein | / | 0.445 | |
3gi4 | K60 | Gag-Pol polyprotein | / | 0.445 | |
3oxw | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
3sa5 | A69 | Protease | / | 0.445 | |
3sac | AF8 | Protease | / | 0.445 | |
4djo | MK5 | Pol polyprotein | / | 0.445 | |
1hsg | MK1 | Gag-Pol polyprotein | / | 0.444 | |
1hxb | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
1t7i | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
1z1h | HBB | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
2qi7 | MZ9 | Gag-Pol polyprotein | / | 0.444 | |
3i6o | GR6 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
3o9b | K2A | Pol polyprotein | / | 0.444 | |
4j55 | 031 | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
1b6p | PI7 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
1hvr | XK2 | Gag-Pol polyprotein | / | 0.443 | |
1k1u | 0Q4 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
1mtr | PI6 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
2avm | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
2qhz | MZ2 | Gag-Pol polyprotein | / | 0.443 | |
3dk1 | G05 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
3nu5 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
3ogq | AB1 | Pol polyprotein | / | 0.443 | |
3slz | 3TL | Putative gag-pro-pol polyprotein | / | 0.443 | |
4i8z | G08 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
1bwa | XV6 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
3cyx | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
3o9i | A61 | Gag-Pol polyprotein | / | 0.442 | |
3oy4 | 017 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
3sa3 | 23X | Protease | / | 0.442 | |
3uhl | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
4djq | M86 | Pol polyprotein | / | 0.442 | |
4dqe | 017 | Gag-Pol polyprotein | / | 0.442 | |
4hdb | G52 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
7upj | INU | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
1a8g | 2Z4 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
1qbt | 146 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
1vij | BAY | Gag-Pol polyprotein | / | 0.441 | |
2bpx | MK1 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
3ekp | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
3gi6 | D78 | Gag-Pol polyprotein | / | 0.441 | |
1odw | 0E8 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
3eky | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
3em3 | 478 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
3i7e | DJR | Gag-Pol polyprotein | / | 0.440 | |
3nls | 016 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
3o9e | A60 | Pol polyprotein | / | 0.440 | |
4nju | TPV | Protease | / | 0.440 |