Cavities 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
PDB ID | HET | Uniprot Name | EC Number |
---|---|---|---|
1t41 | ID5 | Aldose reductase | 1.1.1.21 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
1t41 | ID5 | Aldose reductase | 1.1.1.21 | 1.000 | |
1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.684 | |
1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.673 | |
2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.672 | |
4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.663 | |
2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.652 | |
2iki | 388 | Aldose reductase | 1.1.1.21 | 0.649 | |
2pdm | ZST | Aldose reductase | 1.1.1.21 | 0.649 | |
3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.649 | |
3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.648 | |
3lql | LDT | Aldose reductase | 1.1.1.21 | 0.644 | |
2fz9 | ZST | Aldose reductase | 1.1.1.21 | 0.642 | |
3t42 | 3T4 | Aldose reductase | 1.1.1.21 | 0.634 | |
2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.633 | |
2pdp | 393 | Aldose reductase | 1.1.1.21 | 0.628 | |
2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.627 | |
1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.626 | |
3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.626 | |
2dux | ZST | Aldose reductase | 1.1.1.21 | 0.621 | |
4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.619 | |
2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.618 | |
2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.611 | |
3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.611 | |
2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.609 | |
2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.609 | |
2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.605 | |
2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.601 | |
3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.596 | |
3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.596 | |
2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.595 | |
2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.593 | |
2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.592 | |
3len | ZST | Aldose reductase | 1.1.1.21 | 0.592 | |
2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.585 | |
2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.583 | |
3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.582 | |
3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.579 | |
3ghu | LDT | Aldose reductase | 1.1.1.21 | 0.579 | |
3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.577 | |
2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.576 | |
2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.576 | |
2duz | ZST | Aldose reductase | 1.1.1.21 | 0.570 | |
3ght | LDT | Aldose reductase | 1.1.1.21 | 0.568 | |
2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.557 | |
1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.553 | |
1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.550 | |
1iei | ZES | Aldose reductase | 1.1.1.21 | 0.546 | |
3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.545 | |
2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.543 | |
2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.541 | |
3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.534 | |
2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.533 | |
1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.521 | |
1frb | ZST | Aldose reductase-related protein 2 | / | 0.508 | |
2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.488 | |
2agt | FID | Aldose reductase | 1.1.1.21 | 0.479 | |
5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.479 | |
2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.477 | |
4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.477 | |
1oyn | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.466 | |
1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.460 | |
3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.459 | |
1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.458 | |
3g4k | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
4li6 | 1XO | Tankyrase-1 | 2.4.2.30 | 0.455 | |
1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.452 | |
1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.452 | |
2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.452 | |
4hyf | 1AK | Tankyrase-2 | 2.4.2.30 | 0.451 | |
1e1f | PSG | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic | 3.2.1.182 | 0.450 | |
1gjr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.450 | |
1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.450 | |
2pdw | FID | Aldose reductase | 1.1.1.21 | 0.450 | |
1ry8 | RUT | Aldo-keto reductase family 1 member C3 | / | 0.449 | |
1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.449 | |
1y2b | DEE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.449 | |
2aot | SAH | Histamine N-methyltransferase | 2.1.1.8 | 0.449 | |
2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
1tfz | 869 | 4-hydroxyphenylpyruvate dioxygenase | 1.13.11.27 | 0.448 | |
2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.448 | |
2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.448 | |
3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
3uzx | AOM | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.448 | |
4u16 | 3C0 | Muscarinic acetylcholine receptor M3 | / | 0.448 | |
2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
3o56 | ZG1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.446 | |
1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.445 | |
2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
2inz | OHP | Aldose reductase | 1.1.1.21 | 0.445 | |
3aiq | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic | 3.2.1.182 | 0.445 | |
3p2v | DOY | Aldose reductase | 1.1.1.21 | 0.445 | |
3zj7 | C1K | Strictosidine-O-beta-D-glucosidase | 3.2.1.105 | 0.445 | |
4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.445 | |
1gt5 | BZQ | Odorant-binding protein | / | 0.444 | |
2rd2 | QSI | Glutamine--tRNA ligase | 6.1.1.18 | 0.444 | |
3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.444 | |
3jq8 | DX3 | Pteridine reductase, putative | / | 0.444 | |
4kq6 | DLZ | 6,7-dimethyl-8-ribityllumazine synthase | / | 0.444 | |
2vqq | TFG | Histone deacetylase 4 | 3.5.1.98 | 0.443 | |
3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.443 | |
4lsa | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.443 | |
1x8l | OXR | Retinol dehydratase | / | 0.442 | |
2qry | TPS | Thiamine-binding periplasmic protein | / | 0.442 | |
3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
3ug8 | IMN | Aldo-keto reductase family 1 member C3 | / | 0.442 | |
4phl | PIL | Phosphodiesterase | / | 0.442 | |
3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
1p91 | SAM | 23S rRNA (guanine(745)-N(1))-methyltransferase | / | 0.440 | |
1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 | |
1tco | FK5 | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.440 | |
1tco | FK5 | Serine/threonine-protein phosphatase 2B catalytic subunit alpha isoform | 3.1.3.16 | 0.440 | |
2oaz | I96 | Methionine aminopeptidase 2 | / | 0.440 | |
4jt8 | 1NR | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.440 |