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 |
|---|---|---|---|
| 2o1v | ADP | Endoplasmin |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2o1v | ADP | Endoplasmin | / | 1.000 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.597 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.590 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.585 | |
| 4ivg | ANP | TNF receptor-associated protein 1 | / | 0.583 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.580 | |
| 2o1u | ANP | Endoplasmin | / | 0.576 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.573 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.563 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.562 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.561 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.559 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.555 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.555 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.543 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.539 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.538 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.538 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.538 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.538 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.537 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.535 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.534 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.534 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.527 | |
| 1yc4 | 43P | Heat shock protein HSP 90-alpha | / | 0.527 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.527 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 4xdm | GDM | Heat shock cognate 90 kDa protein | / | 0.523 | |
| 2ye4 | 2FY | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.521 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.521 | |
| 1u2o | NEC | Endoplasmin | / | 0.518 | |
| 1qy8 | RDI | Endoplasmin | / | 0.517 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.515 | |
| 2vci | 2GJ | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 4egh | 0OY | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.513 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.513 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.512 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.508 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 2yec | XQ0 | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.505 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 2uwd | 2GG | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.502 | |
| 2yej | XQK | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 2bsm | BSM | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.498 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 2yi6 | 6QM | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 2ye9 | 2D4 | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 2esa | GDM | Endoplasmin | / | 0.491 | |
| 2ior | ADP | Chaperone protein HtpG | / | 0.489 | |
| 1yt0 | ADP | Endoplasmin | / | 0.488 | |
| 2gqp | PA7 | Endoplasmin | / | 0.486 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.482 | |
| 2wi1 | ZZ2 | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 1d7y | FAD | Ferredoxin reductase | / | 0.479 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 2vcj | 2EQ | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 4nmd | FDA | Bifunctional protein PutA | / | 0.475 | |
| 2yjw | YJW | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 1j39 | UPG | DNA beta-glucosyltransferase | / | 0.472 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.472 | |
| 3ied | AN2 | HSP90 | / | 0.470 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 3rlp | 3RP | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 2xjj | L81 | Heat shock protein HSP 90-alpha | / | 0.467 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.467 | |
| 1g6c | IFP | Thiamine-phosphate synthase | / | 0.466 | |
| 2yi7 | BZ8 | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 4dpu | AGS | Mevalonate diphosphate decarboxylase | / | 0.466 | |
| 5e8w | STU | TGF-beta receptor type-1 | 2.7.11.30 | 0.466 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.463 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.462 | |
| 4ysw | FAD | Xanthine dehydrogenase/oxidase | / | 0.462 | |
| 2py3 | ACP | Fibroblast growth factor receptor 2 | / | 0.461 | |
| 4j03 | FVS | Bifunctional epoxide hydrolase 2 | 3.1.3.76 | 0.460 | |
| 2yxu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.459 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 2c31 | TZD | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.457 | |
| 2xhx | T5M | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 4j97 | ACP | Fibroblast growth factor receptor 2 | / | 0.456 | |
| 2cct | 2E1 | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 1e5q | NDP | Saccharopine dehydrogenase [NADP(+), L-glutamate-forming] | 1.5.1.10 | 0.454 | |
| 3lsi | FAD | Pyranose 2-oxidase | / | 0.454 | |
| 4r20 | AER | Cytochrome P450 family 17 polypeptide 2 | / | 0.454 | |
| 5hes | 032 | Mitogen-activated protein kinase kinase kinase 20 | 2.7.11.25 | 0.453 | |
| 1e90 | MYC | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.452 | |
| 2wi2 | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.452 | |
| 3opd | HIE | Heat shock protein 83 | / | 0.452 | |
| 4pd6 | URI | Nucleoside permease | / | 0.452 | |
| 1g4t | FTP | Thiamine-phosphate synthase | / | 0.451 | |
| 1nvs | UCM | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.451 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 1uu3 | LY4 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.450 | |
| 1ytm | ATP | Phosphoenolpyruvate carboxykinase (ATP) | / | 0.450 | |
| 2ccu | 2D9 | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 2cgw | 3C3 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.450 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.450 | |
| 4fsr | HKC | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.450 | |
| 4g2f | C07 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.450 | |
| 2gfd | RDA | Endoplasmin | / | 0.449 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.449 | |
| 1njf | AGS | DNA polymerase III subunit tau | 2.7.7.7 | 0.448 | |
| 2rgh | FAD | Alpha-Glycerophosphate Oxidase | / | 0.448 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 4awq | 592 | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 2bpo | NAP | NADPH--cytochrome P450 reductase | / | 0.447 | |
| 3o3p | GDD | Glycosyl transferase, family 2 | / | 0.447 | |
| 3sjz | GNP | Translation initiation factor 2 subunit gamma | / | 0.447 | |
| 3vt8 | YI3 | Vitamin D3 receptor | / | 0.447 | |
| 1fnn | ADP | ORC1-type DNA replication protein | / | 0.446 | |
| 1me7 | RVP | Inosine-5'-monophosphate dehydrogenase | / | 0.446 | |
| 1nlm | UD1 | UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase | / | 0.446 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 2hxl | 422 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.446 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 3ac3 | KSH | Tyrosine-protein kinase Lck | 2.7.10.2 | 0.446 | |
| 3hwx | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.446 | |
| 3keu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.446 | |
| 4aw0 | ATP | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.446 | |
| 4gk3 | L87 | Ephrin type-A receptor 3 | 2.7.10.1 | 0.446 | |
| 4z34 | ON7 | Lysophosphatidic acid receptor 1 | / | 0.446 | |
| 1g67 | TZP | Thiamine-phosphate synthase | / | 0.445 | |
| 1n3r | GTP | GTP cyclohydrolase 1 | 3.5.4.16 | 0.445 | |
| 1zxn | ADP | DNA topoisomerase 2-alpha | 5.99.1.3 | 0.445 | |
| 2pan | FAD | Glyoxylate carboligase | 4.1.1.47 | 0.445 | |
| 2zva | 1N1 | Tyrosine-protein kinase Lyn | 2.7.10.2 | 0.445 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.445 | |
| 3f0g | C5P | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | / | 0.445 | |
| 3w1t | WRO | Dihydroorotate dehydrogenase (fumarate) | 1.3.98.1 | 0.445 | |
| 4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 4f9f | GDP | Putative glycosyltransferase | / | 0.445 | |
| 2e0a | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.444 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.444 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.444 | |
| 3gcu | R48 | Mitogen-activated protein kinase 14 | / | 0.444 | |
| 3pcf | FHB | Protocatechuate 3,4-dioxygenase beta chain | 1.13.11.3 | 0.444 | |
| 1db5 | 6IN | Phospholipase A2, membrane associated | / | 0.443 | |
| 1fwk | ADP | Homoserine kinase | 2.7.1.39 | 0.443 | |
| 2pdt | FAD | Vivid PAS protein VVD | / | 0.443 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.443 | |
| 3ict | ADP | Coenzyme A disulfide reductase | / | 0.443 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 3qd3 | 3Q5 | 3-phosphoinositide-dependent protein kinase 1 | 2.7.11.1 | 0.443 | |
| 3tri | NAP | Pyrroline-5-carboxylate reductase | / | 0.443 | |
| 4xb2 | NDP | 319aa long hypothetical homoserine dehydrogenase | / | 0.443 | |
| 1me7 | MOA | Inosine-5'-monophosphate dehydrogenase | / | 0.442 | |
| 3e9h | KAA | Lysine--tRNA ligase | 6.1.1.6 | 0.442 | |
| 3t8w | DGZ | M17 leucyl aminopeptidase | / | 0.442 | |
| 1g1l | DAU | Glucose-1-phosphate thymidylyltransferase | / | 0.441 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.441 | |
| 2hg1 | N5O | Endoplasmin | / | 0.441 | |
| 2oxi | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.441 | |
| 1oiu | N76 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.440 | |
| 1zw1 | TN5 | Enoyl-ACP reductase | / | 0.440 | |
| 2ch6 | ADP | N-acetyl-D-glucosamine kinase | 2.7.1.59 | 0.440 | |
| 2jlc | TPP | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.440 | |
| 2pa3 | NAI | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.440 | |
| 2xa4 | AZ5 | Tyrosine-protein kinase JAK2 | / | 0.440 | |
| 4fuy | EK2 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.440 | |
| 4h8n | NDP | NADPH-dependent conjugated polyketone reductase C2 | / | 0.440 | |
| 4nm7 | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.440 | |
| 4u03 | GTP | Cyclic GMP-AMP synthase | / | 0.440 |