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 |
---|---|---|---|
4yu1 | 53N | Aldose reductase | 1.1.1.21 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
4yu1 | 53N | Aldose reductase | 1.1.1.21 | 1.000 | |
3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.723 | |
3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.722 | |
3lql | LDT | Aldose reductase | 1.1.1.21 | 0.703 | |
1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.694 | |
2dux | ZST | Aldose reductase | 1.1.1.21 | 0.675 | |
1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.671 | |
3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.664 | |
1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.658 | |
2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.654 | |
2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.654 | |
2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.652 | |
3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.648 | |
2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.646 | |
2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.644 | |
3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.642 | |
3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.639 | |
2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.634 | |
1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.633 | |
3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.625 | |
4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.622 | |
3len | ZST | Aldose reductase | 1.1.1.21 | 0.617 | |
1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.616 | |
2pdk | SBI | Aldose reductase | 1.1.1.21 | 0.616 | |
2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.613 | |
2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.607 | |
3ght | LDT | Aldose reductase | 1.1.1.21 | 0.607 | |
3ghu | LDT | Aldose reductase | 1.1.1.21 | 0.606 | |
2fz9 | ZST | Aldose reductase | 1.1.1.21 | 0.605 | |
2pdp | 393 | Aldose reductase | 1.1.1.21 | 0.601 | |
2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.601 | |
2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.600 | |
2iki | 388 | Aldose reductase | 1.1.1.21 | 0.596 | |
2duz | ZST | Aldose reductase | 1.1.1.21 | 0.593 | |
2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.592 | |
1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.591 | |
2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.590 | |
3t42 | 3T4 | Aldose reductase | 1.1.1.21 | 0.588 | |
3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.587 | |
2pdj | 393 | Aldose reductase | 1.1.1.21 | 0.582 | |
2pf8 | NDP | Aldose reductase | 1.1.1.21 | 0.582 | |
2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.579 | |
2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.579 | |
3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.579 | |
2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.577 | |
2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.577 | |
1frb | ZST | Aldose reductase-related protein 2 | / | 0.576 | |
3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.573 | |
2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.570 | |
2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.569 | |
2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.561 | |
3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.552 | |
1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.549 | |
2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.547 | |
1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.538 | |
2agt | FID | Aldose reductase | 1.1.1.21 | 0.537 | |
1iei | ZES | Aldose reductase | 1.1.1.21 | 0.532 | |
2pd9 | FID | Aldose reductase | 1.1.1.21 | 0.522 | |
2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.518 | |
2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.517 | |
2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.495 | |
1zua | TOL | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.491 | |
3v35 | NTI | Aldose reductase | 1.1.1.21 | 0.490 | |
1eko | I84 | Aldose reductase | 1.1.1.21 | 0.489 | |
3cgt | BCD | Cyclomaltodextrin glucanotransferase | 2.4.1.19 | 0.481 | |
1yw7 | A41 | Methionine aminopeptidase 2 | / | 0.475 | |
3mjr | AC2 | Deoxycytidine kinase | 2.7.1.74 | 0.471 | |
2ipj | FFA | Aldo-keto reductase family 1 member C2 | / | 0.468 | |
2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.466 | |
2is7 | 2CL | Aldose reductase | 1.1.1.21 | 0.465 | |
2wmd | ZZ0 | NmrA-like family domain-containing protein 1 | / | 0.465 | |
4ga8 | SBI | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.464 | |
2oaz | I96 | Methionine aminopeptidase 2 | / | 0.462 | |
5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.461 | |
4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.460 | |
1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.459 | |
2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.459 | |
4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.459 | |
2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.458 | |
2ga2 | A19 | Methionine aminopeptidase 2 | / | 0.457 | |
4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.457 | |
4hhz | 15S | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.457 | |
2iqd | LPA | Aldose reductase | 1.1.1.21 | 0.456 | |
2xuq | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.455 | |
3u2c | SUZ | Aldose reductase | 1.1.1.21 | 0.455 | |
1ro9 | 8BR | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.454 | |
1lke | DOG | Bilin-binding protein | / | 0.453 | |
1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.453 | |
2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.452 | |
2pdw | FID | Aldose reductase | 1.1.1.21 | 0.452 | |
4i5x | FLF | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.452 | |
3aos | JH2 | Hemolymph juvenile hormone binding protein | / | 0.451 | |
2xuj | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
3u5y | SCG | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.448 | |
4xo7 | ASD | Aldo-keto reductase family 1 member C2 | / | 0.448 | |
1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.447 | |
1vkg | CRI | Histone deacetylase 8 | 3.5.1.98 | 0.447 | |
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 | 0.447 | |
3p2v | DOY | Aldose reductase | 1.1.1.21 | 0.447 | |
2wey | EV1 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.445 | |
1yw9 | A84 | Methionine aminopeptidase 2 | / | 0.444 | |
2gyw | OBI | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
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 | 0.444 | |
3g49 | 3G4 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.444 | |
2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.443 | |
2zs9 | ADP | Pantothenate kinase | 2.7.1.33 | 0.443 | |
4std | BFS | Scytalone dehydratase | 4.2.1.94 | 0.443 | |
1dgb | NDP | Catalase | 1.11.1.6 | 0.442 | |
1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
2cbq | TH2 | Neocarzinostatin | / | 0.442 | |
4jtq | NAP | Aldo-keto reductase family 1 member C2 | / | 0.442 | |
3c3x | NAP | Eugenol synthase 1 | 1.1.1.318 | 0.441 | |
4k4e | K4E | Tankyrase-1 | 2.4.2.30 | 0.441 | |
1gt5 | BZQ | Odorant-binding protein | / | 0.440 | |
1i75 | NOJ | Cyclomaltodextrin glucanotransferase | 2.4.1.19 | 0.440 | |
1q5m | NDP | Prostaglandin-E(2) 9-reductase | 1.1.1.189 | 0.440 | |
4e0u | 0MV | Cyclic dipeptide N-prenyltransferase | / | 0.440 | |
4jq3 | ZOM | Aldo-keto reductase family 1 member C2 | / | 0.440 |