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 |
---|---|---|---|
3g5e | Q74 | Aldose reductase | 1.1.1.21 |
PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
---|---|---|---|---|---|
3g5e | Q74 | Aldose reductase | 1.1.1.21 | 1.000 | |
3ghu | LDT | Aldose reductase | 1.1.1.21 | 0.762 | |
1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.760 | |
2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.724 | |
1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.716 | |
1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.710 | |
2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.709 | |
2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.691 | |
3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.689 | |
3ght | LDT | Aldose reductase | 1.1.1.21 | 0.687 | |
2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.683 | |
3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.681 | |
2dux | ZST | Aldose reductase | 1.1.1.21 | 0.680 | |
2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.673 | |
1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.667 | |
2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.666 | |
2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.664 | |
2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.652 | |
3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.647 | |
2pdp | 393 | Aldose reductase | 1.1.1.21 | 0.635 | |
2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.623 | |
2duz | ZST | Aldose reductase | 1.1.1.21 | 0.619 | |
2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.619 | |
2iki | 388 | Aldose reductase | 1.1.1.21 | 0.617 | |
2fz9 | ZST | Aldose reductase | 1.1.1.21 | 0.616 | |
2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.608 | |
2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.602 | |
2pev | NDP | Aldose reductase | 1.1.1.21 | 0.601 | |
3t42 | 3T4 | Aldose reductase | 1.1.1.21 | 0.600 | |
2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.597 | |
4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.597 | |
2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.596 | |
2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.594 | |
3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.594 | |
1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.593 | |
1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.588 | |
2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.588 | |
3len | ZST | Aldose reductase | 1.1.1.21 | 0.586 | |
3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.586 | |
2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.584 | |
3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.584 | |
3lql | LDT | Aldose reductase | 1.1.1.21 | 0.584 | |
3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.584 | |
3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.584 | |
1frb | ZST | Aldose reductase-related protein 2 | / | 0.578 | |
2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.578 | |
2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.578 | |
4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.572 | |
1iei | ZES | Aldose reductase | 1.1.1.21 | 0.558 | |
2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.555 | |
3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.552 | |
1zua | TOL | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.546 | |
2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.545 | |
3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.542 | |
2pdj | 393 | Aldose reductase | 1.1.1.21 | 0.541 | |
1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.536 | |
2is7 | 2CL | Aldose reductase | 1.1.1.21 | 0.533 | |
2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.529 | |
4ga8 | SBI | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.499 | |
2pdw | FID | Aldose reductase | 1.1.1.21 | 0.498 | |
4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.489 | |
1eko | I84 | Aldose reductase | 1.1.1.21 | 0.484 | |
2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.476 | |
2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.473 | |
1lnm | DTX | Bilin-binding protein | / | 0.471 | |
3af4 | GCP | Pantothenate kinase | 2.7.1.33 | 0.469 | |
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 | 0.469 | |
1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.468 | |
4u16 | 3C0 | Muscarinic acetylcholine receptor M3 | / | 0.468 | |
1ah0 | SBI | Aldose reductase | 1.1.1.21 | 0.467 | |
1oyn | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.467 | |
1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.467 | |
2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.467 | |
1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.466 | |
2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.466 | |
1ry8 | RUT | Aldo-keto reductase family 1 member C3 | / | 0.465 | |
5std | UNN | Scytalone dehydratase | 4.2.1.94 | 0.465 | |
4lcn | GNG | Cytidine and deoxycytidylate deaminase zinc-binding region | / | 0.464 | |
5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.464 | |
2nvc | ITA | Aldose reductase | 1.1.1.21 | 0.463 | |
4lrh | FOL | Folate receptor alpha | / | 0.462 | |
1w4l | GL8 | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
3v35 | NTI | Aldose reductase | 1.1.1.21 | 0.461 | |
4jt8 | 1NR | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.460 | |
1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.459 | |
1lke | DOG | Bilin-binding protein | / | 0.458 | |
1p91 | SAM | 23S rRNA (guanine(745)-N(1))-methyltransferase | / | 0.458 | |
2cbq | TH2 | Neocarzinostatin | / | 0.458 | |
2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.458 | |
4e0u | 0MV | Cyclic dipeptide N-prenyltransferase | / | 0.458 | |
1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.457 | |
3dyq | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.457 | |
4kn2 | LYA | Folate receptor beta | / | 0.457 | |
4mm7 | 29J | Na(+):neurotransmitter symporter (Snf family) | / | 0.457 | |
3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.456 | |
4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.456 | |
1sa5 | BMV | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.455 | |
2xuj | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.455 | |
3szf | DCQ | Sulfide-quinone reductase | / | 0.455 | |
1pj6 | FOL | Dimethylglycine oxidase | 1.5.3.10 | 0.454 | |
3af1 | GDP | Pantothenate kinase | 2.7.1.33 | 0.454 | |
3zc3 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.454 | |
4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.454 | |
3e33 | ED7 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.453 | |
3g4k | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
3iak | EV1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
3u2c | SUZ | Aldose reductase | 1.1.1.21 | 0.453 | |
3u3o | 3QV | Sulfotransferase 1A1 | 2.8.2.1 | 0.453 | |
4gts | 7TP | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.453 | |
1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.452 | |
2ea4 | F79 | Methionine aminopeptidase 2 | / | 0.452 | |
2pdk | SBI | Aldose reductase | 1.1.1.21 | 0.452 | |
2zs9 | ADP | Pantothenate kinase | 2.7.1.33 | 0.452 | |
3uzz | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.452 | |
1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
2agt | FID | Aldose reductase | 1.1.1.21 | 0.451 | |
2inz | OHP | Aldose reductase | 1.1.1.21 | 0.451 | |
2iqd | LPA | Aldose reductase | 1.1.1.21 | 0.451 | |
2pdm | ZST | Aldose reductase | 1.1.1.21 | 0.451 | |
2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
4dbs | 0HV | Aldo-keto reductase family 1 member C3 | / | 0.451 | |
1rxj | BNI | Streptavidin | / | 0.450 | |
2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.450 | |
3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.450 | |
3hxe | BD8 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.450 | |
4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.450 | |
1dgb | NDP | Catalase | 1.11.1.6 | 0.449 | |
1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.449 | |
1fml | RTL | Retinol dehydratase | / | 0.449 | |
1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.449 | |
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 | 0.449 | |
2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.449 | |
2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.449 | |
3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.449 | |
3w5e | NVW | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.449 | |
4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.449 | |
4kn0 | MTX | Folate receptor beta | / | 0.449 | |
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 | |
2xui | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
3pz3 | PZ3 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.448 | |
4jtr | IZP | Aldo-keto reductase family 1 member C2 | / | 0.448 | |
4kn1 | 04J | Folate receptor beta | / | 0.448 | |
1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
2pdy | FID | Aldose reductase | 1.1.1.21 | 0.447 | |
3n3z | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
4i5x | FLF | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.447 | |
4kmz | FOL | Folate receptor beta | / | 0.447 | |
1t47 | NTD | 4-hydroxyphenylpyruvate dioxygenase | 1.13.11.27 | 0.446 | |
1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
2zsa | ADP | Pantothenate kinase | 2.7.1.33 | 0.446 | |
3c3x | NAP | Eugenol synthase 1 | 1.1.1.318 | 0.446 | |
3sl6 | JN8 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.446 | |
4jsr | 1NQ | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.446 | |
1ihi | IU5 | Aldo-keto reductase family 1 member C2 | / | 0.445 | |
1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
1udt | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.445 | |
1x8l | OXR | Retinol dehydratase | / | 0.445 | |
2acu | NAP | Aldose reductase | 1.1.1.21 | 0.445 | |
3jsx | CC2 | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.445 | |
3sfx | JAN | Uncharacterized protein | / | 0.445 | |
4d2d | ALA_ALA_ALA | Di-or tripeptide:H+ symporter | / | 0.445 | |
4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.445 | |
1nl4 | HFP | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.444 | |
1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
2wzy | SQX | Soluble acetylcholine receptor | / | 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 | |
1jdz | FMB | Purine nucleoside phosphorylase | / | 0.443 | |
1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
1sa4 | JAN | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.443 | |
1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
2fm0 | M98 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
2r2l | PB9 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.443 | |
2v0m | KLN | Cytochrome P450 3A4 | / | 0.443 | |
2gms | P0P | Putative pyridoxamine 5-phosphate-dependent dehydrase | / | 0.442 | |
2vt4 | P32 | Beta-1 adrenergic receptor | / | 0.442 | |
3af3 | GCP | Pantothenate kinase | 2.7.1.33 | 0.442 | |
3tfu | PL8 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.442 | |
4gtr | 7TR | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.442 | |
4i9z | 5BA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.442 | |
4x3u | SVR | Chromobox protein homolog 7 | / | 0.442 | |
1lgt | BP3 | Biphenyl-2,3-diol 1,2-dioxygenase | 1.13.11.39 | 0.441 | |
1upw | 444 | Oxysterols receptor LXR-beta | / | 0.441 | |
2x86 | ADP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.441 | |
3q7f | ED2 | Uncharacterized protein | / | 0.441 | |
4pab | THG | Dimethylglycine dehydrogenase, mitochondrial | 1.5.8.4 | 0.441 | |
1q83 | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
1s7g | NAD | NAD-dependent protein deacylase 2 | / | 0.440 | |
1zgc | A2E | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
4oex | 5EO | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.440 |