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 |
---|---|---|---|
3qi1 | C6A | Beta-secretase 1 | 3.4.23.46 |
PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
---|---|---|---|---|---|
3qi1 | C6A | Beta-secretase 1 | 3.4.23.46 | 1.000 | |
4i0j | 842 | Beta-secretase 1 | 3.4.23.46 | 0.610 | |
4ke1 | 1R6 | Beta-secretase 1 | 3.4.23.46 | 0.608 | |
4i0h | 1BL | Beta-secretase 1 | 3.4.23.46 | 0.591 | |
3cib | 314 | Beta-secretase 1 | 3.4.23.46 | 0.590 | |
4dpf | 0LG | Beta-secretase 1 | 3.4.23.46 | 0.579 | |
3n4l | 842 | Beta-secretase 1 | 3.4.23.46 | 0.577 | |
1xs7 | MMI | Beta-secretase 1 | 3.4.23.46 | 0.575 | |
2g94 | ZPQ | Beta-secretase 1 | 3.4.23.46 | 0.570 | |
2f3e | AXQ | Beta-secretase 1 | 3.4.23.46 | 0.569 | |
3k5f | AYH | Beta-secretase 1 | 3.4.23.46 | 0.569 | |
4djy | 0KR | Beta-secretase 1 | 3.4.23.46 | 0.569 | |
2hiz | LIJ | Beta-secretase 1 | 3.4.23.46 | 0.566 | |
2fdp | FRP | Beta-secretase 1 | 3.4.23.46 | 0.562 | |
2hm1 | LIQ | Beta-secretase 1 | 3.4.23.46 | 0.558 | |
4ke0 | 1R8 | Beta-secretase 1 | 3.4.23.46 | 0.556 | |
3duy | AFJ | Beta-secretase 1 | 3.4.23.46 | 0.554 | |
3k5d | XLI | Beta-secretase 1 | 3.4.23.46 | 0.554 | |
3k5g | BJC | Beta-secretase 1 | 3.4.23.46 | 0.553 | |
4lxa | 1YS | Beta-secretase 1 | 3.4.23.46 | 0.553 | |
4dh6 | 0KN | Beta-secretase 1 | 3.4.23.46 | 0.552 | |
4lxk | 1YT | Beta-secretase 1 | 3.4.23.46 | 0.552 | |
4k8s | 1QT | Beta-secretase 1 | 3.4.23.46 | 0.549 | |
2p83 | MR0 | Beta-secretase 1 | 3.4.23.46 | 0.548 | |
3nsh | 957 | Beta-secretase 1 | 3.4.23.46 | 0.547 | |
4i0i | 957 | Beta-secretase 1 | 3.4.23.46 | 0.547 | |
2f3f | AXF | Beta-secretase 1 | 3.4.23.46 | 0.546 | |
3lpj | Z75 | Beta-secretase 1 | 3.4.23.46 | 0.545 | |
3r2f | PB0 | Beta-secretase 1 | 3.4.23.46 | 0.545 | |
4exg | 916 | Beta-secretase 1 | 3.4.23.46 | 0.545 | |
3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.542 | |
4d89 | BXD | Beta-secretase 1 | 3.4.23.46 | 0.542 | |
3dv1 | AR9 | Beta-secretase 1 | 3.4.23.46 | 0.541 | |
3ixj | 586 | Beta-secretase 1 | 3.4.23.46 | 0.541 | |
2vkm | BSD | Beta-secretase 1 | 3.4.23.46 | 0.538 | |
3exo | 5MS | Beta-secretase 1 | 3.4.23.46 | 0.538 | |
3cid | 318 | Beta-secretase 1 | 3.4.23.46 | 0.536 | |
3fkt | SII | Beta-secretase 1 | 3.4.23.46 | 0.534 | |
3cic | 316 | Beta-secretase 1 | 3.4.23.46 | 0.533 | |
3ohf | 3HF | Beta-secretase 1 | 3.4.23.46 | 0.532 | |
4fse | 0VA | Beta-secretase 1 | 3.4.23.46 | 0.532 | |
4h3f | 10O | Beta-secretase 1 | 3.4.23.46 | 0.532 | |
4lxm | 1YU | Beta-secretase 1 | 3.4.23.46 | 0.532 | |
4ewo | 996 | Beta-secretase 1 | 3.4.23.46 | 0.531 | |
2iqg | F2I | Beta-secretase 1 | 3.4.23.46 | 0.530 | |
4i1c | 1BE | Beta-secretase 1 | 3.4.23.46 | 0.527 | |
3ixk | 929 | Beta-secretase 1 | 3.4.23.46 | 0.526 | |
3qbh | QBH | Beta-secretase 1 | 3.4.23.46 | 0.525 | |
1tqf | 32P | Beta-secretase 1 | 3.4.23.46 | 0.524 | |
2ph8 | 35A | Beta-secretase 1 | 3.4.23.46 | 0.524 | |
3skg | PB8 | Beta-secretase 1 | 3.4.23.46 | 0.523 | |
1w51 | L01 | Beta-secretase 1 | 3.4.23.46 | 0.520 | |
1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.520 | |
4h3j | 10W | Beta-secretase 1 | 3.4.23.46 | 0.520 | |
3veu | 0GO | Beta-secretase 1 | 3.4.23.46 | 0.518 | |
2ntr | L00 | Beta-secretase 1 | 3.4.23.46 | 0.517 | |
3d91 | REM | Renin | 3.4.23.15 | 0.516 | |
2irz | I02 | Beta-secretase 1 | 3.4.23.46 | 0.515 | |
2vij | C44 | Beta-secretase 1 | 3.4.23.46 | 0.515 | |
3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.515 | |
3t7x | 4SH | Endothiapepsin | 3.4.23.22 | 0.515 | |
4dus | 0MP | Beta-secretase 1 | 3.4.23.46 | 0.515 | |
4gid | 0GH | Beta-secretase 1 | 3.4.23.46 | 0.515 | |
2p4j | 23I | Beta-secretase 1 | 3.4.23.46 | 0.514 | |
4fco | 0U4 | Beta-secretase 1 | 3.4.23.46 | 0.512 | |
2wf1 | ZY1 | Beta-secretase 1 | 3.4.23.46 | 0.511 | |
4l7g | 1W0 | Beta-secretase 1 | 3.4.23.46 | 0.511 | |
2ph6 | 712 | Beta-secretase 1 | 3.4.23.46 | 0.510 | |
4fs4 | H24 | Beta-secretase 1 | 3.4.23.46 | 0.509 | |
2qzl | IXS | Beta-secretase 1 | 3.4.23.46 | 0.508 | |
3dm6 | 757 | Beta-secretase 1 | 3.4.23.46 | 0.508 | |
2oah | QIN | Beta-secretase 1 | 3.4.23.46 | 0.507 | |
4k9h | 1QU | Beta-secretase 1 | 3.4.23.46 | 0.507 | |
4b72 | 2FB | Beta-secretase 1 | 3.4.23.46 | 0.505 | |
4b78 | KGG | Beta-secretase 1 | 3.4.23.46 | 0.503 | |
2vie | VG0 | Beta-secretase 1 | 3.4.23.46 | 0.502 | |
3vf3 | 0GS | Beta-secretase 1 | 3.4.23.46 | 0.502 | |
2g24 | 7IG | Renin | 3.4.23.15 | 0.501 | |
2il2 | LIX | Renin | 3.4.23.15 | 0.501 | |
2g1n | 1IG | Renin | 3.4.23.15 | 0.499 | |
2g21 | L1B | Renin | 3.4.23.15 | 0.499 | |
3own | 3OX | Renin | 3.4.23.15 | 0.499 | |
2vnm | CM8 | Beta-secretase 1 | 3.4.23.46 | 0.498 | |
2wf3 | ZY3 | Beta-secretase 1 | 3.4.23.46 | 0.498 | |
3t6i | NC9 | Endothiapepsin | 3.4.23.22 | 0.498 | |
1bim | 0QB | Renin | 3.4.23.15 | 0.497 | |
4b70 | WM9 | Beta-secretase 1 | 3.4.23.46 | 0.497 | |
2i4q | UA4 | Renin | 3.4.23.15 | 0.496 | |
4dpi | 0N1 | Beta-secretase 1 | 3.4.23.46 | 0.496 | |
2b8l | 5HA | Beta-secretase 1 | 3.4.23.46 | 0.495 | |
2iku | LIY | Renin | 3.4.23.15 | 0.494 | |
2p8h | MY9 | Beta-secretase 1 | 3.4.23.46 | 0.494 | |
4j1f | 1HL | Beta-secretase 1 | 3.4.23.46 | 0.494 | |
2is0 | I03 | Beta-secretase 1 | 3.4.23.46 | 0.493 | |
2xfi | XFI | Beta-secretase 1 | 3.4.23.46 | 0.493 | |
4fm8 | 0UQ | Beta-secretase 1 | 3.4.23.46 | 0.493 | |
2g1r | 3IG | Renin | 3.4.23.15 | 0.490 | |
2xfj | VG5 | Beta-secretase 1 | 3.4.23.46 | 0.490 | |
4b0q | GMF | Beta-secretase 1 | 3.4.23.46 | 0.490 | |
2g1o | 2IG | Renin | 3.4.23.15 | 0.489 | |
1rne | C60 | Renin | 3.4.23.15 | 0.487 | |
2g20 | L1A | Renin | 3.4.23.15 | 0.487 | |
3tpr | 5HA | Beta-secretase 1 | 3.4.23.46 | 0.487 | |
4lc7 | 1WP | Beta-secretase 1 | 3.4.23.46 | 0.486 | |
2vj7 | VG6 | Beta-secretase 1 | 3.4.23.46 | 0.485 | |
2vnn | CM7 | Beta-secretase 1 | 3.4.23.46 | 0.485 | |
4b1c | 1B1 | Beta-secretase 1 | 3.4.23.46 | 0.485 | |
4j1k | 1HG | Beta-secretase 1 | 3.4.23.46 | 0.485 | |
2wf2 | ZY2 | Beta-secretase 1 | 3.4.23.46 | 0.484 | |
2b8v | 3BN | Beta-secretase 1 | 3.4.23.46 | 0.483 | |
2wf0 | ZY0 | Beta-secretase 1 | 3.4.23.46 | 0.483 | |
2wf4 | ZY4 | Beta-secretase 1 | 3.4.23.46 | 0.481 | |
1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.480 | |
2g1s | 4IG | Renin | 3.4.23.15 | 0.479 | |
3vuc | HHE | Renin | 3.4.23.15 | 0.479 | |
1psa | 0ZL | Pepsin A | 3.4.23.1 | 0.478 | |
3lqf | NAD | Galactitol dehydrogenase | / | 0.477 | |
3own | 3OW | Renin | 3.4.23.15 | 0.477 | |
4ha5 | 13W | Beta-secretase 1 | 3.4.23.46 | 0.477 | |
2wez | ZYE | Beta-secretase 1 | 3.4.23.46 | 0.476 | |
3zlq | 6T9 | Beta-secretase 2 | 3.4.23.45 | 0.476 | |
1gvv | 0GM | Endothiapepsin | 3.4.23.22 | 0.475 | |
1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.475 | |
3vsw | R31 | Renin | 3.4.23.15 | 0.475 | |
2g26 | 3LG | Renin | 3.4.23.15 | 0.474 | |
3kmx | G00 | Beta-secretase 1 | 3.4.23.46 | 0.474 | |
1lf3 | EH5 | Plasmepsin-2 | 3.4.23.39 | 0.473 | |
4djx | 0KQ | Beta-secretase 1 | 3.4.23.46 | 0.473 | |
4frk | DWD | Beta-secretase 1 | 3.4.23.46 | 0.473 | |
2v16 | C47 | Renin | 3.4.23.15 | 0.472 | |
3i25 | MV7 | Beta-secretase 1 | 3.4.23.46 | 0.472 | |
3pww | ROC | Endothiapepsin | 3.4.23.22 | 0.472 | |
1bil | 0IU | Renin | 3.4.23.15 | 0.471 | |
1gvt | 2ZS | Endothiapepsin | 3.4.23.22 | 0.470 | |
3vyd | VYD | Renin | 3.4.23.15 | 0.470 | |
3gqv | NAP | Enoyl reductase LovC | 1 | 0.469 | |
4yao | FMN | NADPH--cytochrome P450 reductase | / | 0.469 | |
1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.468 | |
2lfo | GCH | Fatty acid-binding protein, liver | / | 0.468 | |
4b77 | 54M | Beta-secretase 1 | 3.4.23.46 | 0.468 | |
4yfy | 1YJ | VioF | / | 0.467 | |
3gwf | NAP | Cyclohexanone monooxygenase | / | 0.466 | |
4frs | 0V6 | Beta-secretase 1 | 3.4.23.46 | 0.466 | |
2v13 | C40 | Renin | 3.4.23.15 | 0.465 | |
3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.465 | |
2g22 | 6IG | Renin | 3.4.23.15 | 0.464 | |
3tne | RIT | Candidapepsin-1 | 3.4.23.24 | 0.463 | |
3udn | 09B | Beta-secretase 1 | 3.4.23.46 | 0.463 | |
4l7j | 1W2 | Beta-secretase 1 | 3.4.23.46 | 0.463 | |
2iko | 7IG | Renin | 3.4.23.15 | 0.462 | |
3oqk | S52 | Renin | 3.4.23.15 | 0.462 | |
3uov | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.462 | |
2v00 | V15 | Endothiapepsin | 3.4.23.22 | 0.461 | |
5b1y | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.461 | |
3uoz | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.460 | |
4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.460 | |
1gvw | 0EM | Endothiapepsin | 3.4.23.22 | 0.459 | |
3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.459 | |
3oqf | S51 | Renin | 3.4.23.15 | 0.458 | |
4azy | 7F3 | Beta-secretase 1 | 3.4.23.46 | 0.457 | |
4y3z | F41 | Endothiapepsin | 3.4.23.22 | 0.457 | |
2q15 | 3MR | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
2vj6 | VG5 | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
4y38 | 0A9 | Endothiapepsin | 3.4.23.22 | 0.456 | |
3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.455 | |
3vyf | VYF | Renin | 3.4.23.15 | 0.455 | |
4h3i | 10V | Beta-secretase 1 | 3.4.23.46 | 0.455 | |
4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.455 | |
1e80 | 0GQ | Endothiapepsin | 3.4.23.22 | 0.454 | |
2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.454 | |
2xfk | AA9 | Beta-secretase 1 | 3.4.23.46 | 0.454 | |
1cju | FOK | Adenylate cyclase type 2 | / | 0.453 | |
1cju | FOK | Adenylate cyclase type 5 | / | 0.453 | |
3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.453 | |
2fs4 | PZ1 | Renin | 3.4.23.15 | 0.452 | |
2iyf | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.452 | |
2viz | VG4 | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
3k3e | PDB | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.452 | |
3h3t | 16H | Collagen type IV alpha-3-binding protein | / | 0.451 | |
4j0y | 1H6 | Beta-secretase 1 | 3.4.23.46 | 0.451 | |
4zea | IMI | Endothiapepsin | 3.4.23.22 | 0.451 | |
2bjf | DXC | Choloylglycine hydrolase | 3.5.1.24 | 0.450 | |
3pbz | F02 | Endothiapepsin | 3.4.23.22 | 0.450 | |
4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.450 | |
1od1 | 0QS | Endothiapepsin | 3.4.23.22 | 0.449 | |
2g1y | 5IG | Renin | 3.4.23.15 | 0.449 | |
1hdo | NAP | Flavin reductase (NADPH) | / | 0.448 | |
1ppk | IVV | Penicillopepsin-1 | 3.4.23.20 | 0.448 | |
1t2c | NAI | L-lactate dehydrogenase | 1.1.1.27 | 0.448 | |
3vsx | R32 | Renin | 3.4.23.15 | 0.448 | |
4dpt | AGS | Mevalonate diphosphate decarboxylase | / | 0.448 | |
4y3q | F02 | Endothiapepsin | 3.4.23.22 | 0.448 | |
2yy2 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.447 | |
3oag | LPQ | Renin | 3.4.23.15 | 0.447 | |
3g6z | A7T | Renin | 3.4.23.15 | 0.446 | |
3oad | LPO | Renin | 3.4.23.15 | 0.446 | |
3psy | RB9 | Endothiapepsin | 3.4.23.22 | 0.446 | |
3t7q | RB4 | Endothiapepsin | 3.4.23.22 | 0.446 | |
3zki | WZV | Beta-secretase 2 | 3.4.23.45 | 0.446 | |
4h6p | FMN | Chromate reductase | / | 0.446 | |
1zap | A70 | Candidapepsin-2 | 3.4.23.24 | 0.445 | |
2a5h | SAM | L-lysine 2,3-aminomutase | 5.4.3.2 | 0.445 | |
2g27 | 4LG | Renin | 3.4.23.15 | 0.445 | |
2wed | PP6 | Penicillopepsin-1 | 3.4.23.20 | 0.445 | |
3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.445 | |
3pw8 | ACO | 1,2-phenylacetyl-CoA epoxidase, subunit A | 1.14.13.149 | 0.445 | |
3t6i | NC8 | Endothiapepsin | 3.4.23.22 | 0.445 | |
3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.445 | |
4dju | 0KK | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
4gv0 | 8ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.445 | |
4r1f | ADP | DNA topoisomerase 2-alpha | 5.99.1.3 | 0.445 | |
2bn4 | FMN | NADPH--cytochrome P450 reductase | / | 0.444 | |
2vj9 | VG7 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
3g70 | A5T | Renin | 3.4.23.15 | 0.444 | |
3lqs | PSZ | D-alanine aminotransferase | 2.6.1.21 | 0.444 | |
3zei | AWH | O-acetylserine sulfhydrylase | / | 0.444 | |
4acu | QN7 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.444 | |
2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.443 | |
3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.443 | |
4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.443 | |
4zir | ANP | Energy-coupling factor transporter ATP-binding protein EcfA2 | 3.6.3 | 0.443 | |
4zir | ANP | Energy-coupling factor transporter ATP-binding protein EcfA1 | / | 0.443 | |
3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.442 | |
4fsl | 0VB | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
1bxo | PP7 | Penicillopepsin-1 | 3.4.23.20 | 0.441 | |
1bxq | PP8 | Penicillopepsin-1 | 3.4.23.20 | 0.441 | |
3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
3prs | RIT | Endothiapepsin | 3.4.23.22 | 0.441 | |
3u9f | CLM | Chloramphenicol acetyltransferase | 2.3.1.28 | 0.441 | |
4dan | 2FA | Purine nucleoside phosphorylase DeoD-type | 2.4.2.1 | 0.441 | |
4mrm | 2BY | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.441 | |
4r21 | STR | Cytochrome P450 family 17 polypeptide 2 | / | 0.441 | |
4xsv | C5P | Ethanolamine-phosphate cytidylyltransferase | 2.7.7.14 | 0.441 | |
4y1b | NAP | AntE | / | 0.441 | |
1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
3otb | DGT | Probable tRNA(His) guanylyltransferase | 2.7.7.79 | 0.440 | |
3pi0 | F91 | Endothiapepsin | 3.4.23.22 | 0.440 | |
3rup | ADP | Biotin carboxylase | 6.3.4.14 | 0.440 | |
4bek | XK0 | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
4gv4 | MEJ | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.440 | |
4m83 | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.440 | |
4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.440 |