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 |
---|---|---|---|
2pdp | 393 | Aldose reductase | 1.1.1.21 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
2pdp | 393 | Aldose reductase | 1.1.1.21 | 1.000 | |
1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.645 | |
2fz9 | ZST | Aldose reductase | 1.1.1.21 | 0.644 | |
1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.640 | |
2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.640 | |
2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.638 | |
1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.636 | |
2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.633 | |
4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.631 | |
1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.630 | |
2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.628 | |
2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.627 | |
3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.627 | |
3len | ZST | Aldose reductase | 1.1.1.21 | 0.618 | |
3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.618 | |
2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.617 | |
2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.617 | |
2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.612 | |
2iki | 388 | Aldose reductase | 1.1.1.21 | 0.611 | |
2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.609 | |
2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.607 | |
3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.606 | |
3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.604 | |
3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.602 | |
3t42 | 3T4 | Aldose reductase | 1.1.1.21 | 0.599 | |
2dux | ZST | Aldose reductase | 1.1.1.21 | 0.596 | |
1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.595 | |
1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.595 | |
2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.593 | |
3ghu | LDT | Aldose reductase | 1.1.1.21 | 0.588 | |
1iei | ZES | Aldose reductase | 1.1.1.21 | 0.587 | |
3ght | LDT | Aldose reductase | 1.1.1.21 | 0.587 | |
2duz | ZST | Aldose reductase | 1.1.1.21 | 0.586 | |
2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.583 | |
2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.583 | |
2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.581 | |
2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.577 | |
1frb | ZST | Aldose reductase-related protein 2 | / | 0.576 | |
3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.576 | |
3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.575 | |
4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.574 | |
3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.573 | |
2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.572 | |
3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.568 | |
3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.559 | |
3lql | LDT | Aldose reductase | 1.1.1.21 | 0.557 | |
2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.553 | |
2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.553 | |
2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.544 | |
2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.540 | |
3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.540 | |
2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.531 | |
1zua | TOL | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.487 | |
1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.484 | |
2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.479 | |
1oyn | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.475 | |
1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.474 | |
2pdy | FID | Aldose reductase | 1.1.1.21 | 0.474 | |
4d2d | ALA_ALA_ALA | Di-or tripeptide:H+ symporter | / | 0.473 | |
4f0r | MTA | 5-methylthioadenosine/S-adenosylhomocysteine deaminase | / | 0.471 | |
2iqd | LPA | Aldose reductase | 1.1.1.21 | 0.466 | |
3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.466 | |
4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.466 | |
5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.465 | |
2agt | FID | Aldose reductase | 1.1.1.21 | 0.464 | |
4k4e | K4E | Tankyrase-1 | 2.4.2.30 | 0.464 | |
4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.464 | |
1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.462 | |
4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.460 | |
2i65 | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.459 | |
3u2c | SUZ | Aldose reductase | 1.1.1.21 | 0.459 | |
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 | 0.456 | |
3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.455 | |
2inz | OHP | Aldose reductase | 1.1.1.21 | 0.454 | |
4i9z | 5BA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.454 | |
3rj0 | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.452 | |
3e4v | FMN | Uncharacterized protein | / | 0.451 | |
3g4k | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
1m9n | AMZ | Bifunctional purine biosynthesis protein PURH | 2.1.2.3 | 0.450 | |
1q5m | NDP | Prostaglandin-E(2) 9-reductase | 1.1.1.189 | 0.450 | |
2c1z | KMP | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.450 | |
2pdw | FID | Aldose reductase | 1.1.1.21 | 0.450 | |
3bv7 | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.450 | |
3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.450 | |
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 | 0.449 | |
3aiv | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic | 3.2.1.182 | 0.449 | |
4phl | PIL | Phosphodiesterase | / | 0.449 | |
1o6q | R17 | Squalene--hopene cyclase | 4.2.1.129 | 0.448 | |
1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.447 | |
2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.447 | |
2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
1s1r | NAP | Aldo-keto reductase family 1 member C3 | / | 0.446 | |
2wzy | SQX | Soluble acetylcholine receptor | / | 0.446 | |
4mm7 | 29J | Na(+):neurotransmitter symporter (Snf family) | / | 0.446 | |
3sn6 | P0G | Beta-2 adrenergic receptor | / | 0.446 | |
1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.445 | |
2tpl | HPP | Tyrosine phenol-lyase | 4.1.99.2 | 0.445 | |
4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.445 | |
2ohh | FMN | Type A flavoprotein FprA | 1 | 0.444 | |
4kn0 | MTX | Folate receptor beta | / | 0.444 | |
1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.443 | |
1fds | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.443 | |
3n0h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.442 | |
1fap | RAP | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.442 | |
1fap | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.442 | |
3wi2 | P98 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
4j7h | TRH | PCZA361.3 | / | 0.442 | |
1s9d | AFB | Cytohesin-2 | / | 0.441 | |
1s9d | AFB | ADP-ribosylation factor 1 | / | 0.441 | |
2nvc | ITA | Aldose reductase | 1.1.1.21 | 0.441 | |
2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.441 | |
4a3u | FMN | NADH:flavin oxidoreductase/NADH oxidase | / | 0.441 | |
4j7g | TRH | PCZA361.3 | / | 0.441 | |
1dgb | NDP | Catalase | 1.11.1.6 | 0.440 | |
1kyx | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.440 | |
1v08 | NTZ | 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 | 0.440 |