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 |
|---|---|---|---|
| 1z59 | ADP | Type 2 DNA topoisomerase 6 subunit B |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1z59 | ADP | Type 2 DNA topoisomerase 6 subunit B | / | 1.000 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.586 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.576 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.568 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.566 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.559 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.558 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.550 | |
| 2e0a | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.549 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.547 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.545 | |
| 1yt0 | ADP | Endoplasmin | / | 0.544 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.540 | |
| 2hkj | RDC | Type 2 DNA topoisomerase 6 subunit B | / | 0.539 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.532 | |
| 1qy5 | NEC | Endoplasmin | / | 0.530 | |
| 3ied | AN2 | HSP90 | / | 0.530 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.530 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.529 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.527 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.527 | |
| 4egk | RDC | 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 | / | 0.519 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.516 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.515 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 3h4l | ANP | DNA mismatch repair protein PMS1 | / | 0.510 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 1u0z | RDC | Endoplasmin | / | 0.508 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.505 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 1h7u | AGS | Mismatch repair endonuclease PMS2 | 3.1 | 0.503 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.499 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.497 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.496 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 2zkj | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.496 | |
| 1i5a | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.495 | |
| 2bu2 | ATP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.495 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.495 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.494 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.492 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.492 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 1z5c | ADP | Type 2 DNA topoisomerase 6 subunit B | / | 0.491 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.490 | |
| 1yc4 | 43P | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 2zdy | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.488 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.487 | |
| 1gjv | AGS | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | 2.7.11.4 | 0.486 | |
| 2gfd | RDA | Endoplasmin | / | 0.486 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.485 | |
| 1nhh | ANP | DNA mismatch repair protein MutL | / | 0.484 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 2yxu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.484 | |
| 2zdx | P4A | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.484 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.483 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 1u0y | PA7 | Endoplasmin | / | 0.480 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 4egh | 0OY | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 1i5b | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.479 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.479 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 1zxn | ADP | DNA topoisomerase 2-alpha | 5.99.1.3 | 0.478 | |
| 2o1u | ANP | Endoplasmin | / | 0.477 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.476 | |
| 2gqp | PA7 | Endoplasmin | / | 0.475 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 2yjx | YJX | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.474 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.473 | |
| 1qy8 | RDI | Endoplasmin | / | 0.472 | |
| 3a0t | ADP | Sensor histidine kinase | / | 0.472 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 1i58 | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.469 | |
| 2bri | ANP | Uridylate kinase | 2.7.4.22 | 0.469 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.469 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.468 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 2fyp | RDE | Endoplasmin | / | 0.467 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.467 | |
| 3zw3 | ZW3 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.466 | |
| 4fl2 | ANP | Tyrosine-protein kinase SYK | 2.7.10.2 | 0.466 | |
| 1mx0 | ANP | Type 2 DNA topoisomerase 6 subunit B | / | 0.465 | |
| 2vcj | 2EQ | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 1i59 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.464 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 1ysz | NEC | Endoplasmin | / | 0.462 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.462 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.461 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.461 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 4a99 | FAD | TetX family tetracycline inactivation enzyme | / | 0.460 | |
| 4anx | 534 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.459 | |
| 2o1v | ADP | Endoplasmin | / | 0.458 | |
| 4awq | 592 | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 2xx5 | 13N | ATP-dependent molecular chaperone HSP82 | / | 0.457 | |
| 3v1y | NAD | Glyceraldehyde-3-phosphate dehydrogenase 1, cytosolic | 1.2.1.12 | 0.457 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.456 | |
| 3tm0 | ANP | Aminoglycoside 3'-phosphotransferase | 2.7.1.95 | 0.456 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 2q8i | RDC | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | 2.7.11.2 | 0.455 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 4ii5 | ADP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.455 | |
| 4r3a | ANP | Blue-light-activated histidine kinase 2 | 2.7.13.3 | 0.455 | |
| 1zth | ADP | RIO-type serine/threonine-protein kinase Rio1 | 2.7.11.1 | 0.454 | |
| 3ft5 | MO8 | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 4gyi | ADP | Uncharacterized protein | / | 0.454 | |
| 4lb2 | DM5 | Serum albumin | / | 0.454 | |
| 4lrj | ANP | Uncharacterized protein | / | 0.454 | |
| 3nsz | ANP | Casein kinase II subunit alpha | 2.7.11.1 | 0.453 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.453 | |
| 3sl2 | ATP | Sensor histidine kinase WalK | / | 0.452 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.452 | |
| 4hj3 | FMN | LOV protein | / | 0.452 | |
| 1jm6 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.451 | |
| 2xs0 | ANP | Mitogen-activated protein kinase 8 | 2.7.11.24 | 0.451 | |
| 4y9q | C2E | Uncharacterized protein | / | 0.451 | |
| 2cjm | ATP | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
| 2exc | JNK | Mitogen-activated protein kinase 10 | 2.7.11.24 | 0.450 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.450 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 4k28 | NAD | Shikimate dehydrogenase family protein | / | 0.450 | |
| 2l1r | SXK | Troponin C, slow skeletal and cardiac muscles | / | 0.449 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.449 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.449 | |
| 1uzw | CDH | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 2tmd | ADP | Trimethylamine dehydrogenase | 1.5.8.2 | 0.447 | |
| 2y3r | TRK | TamL | / | 0.447 | |
| 1nzf | UPG | DNA beta-glucosyltransferase | / | 0.446 | |
| 1x8v | ESL | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.446 | |
| 2hog | 710 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.446 | |
| 5dpv | SKE | Aurora kinase A | 2.7.11.1 | 0.446 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 4hjf | C2E | GGDEF family protein | / | 0.445 | |
| 4ijr | NDP | D-arabinose dehydrogenase [NAD(P)+] heavy chain | 1.1.1.117 | 0.445 | |
| 1j1c | ADP | Glycogen synthase kinase-3 beta | 2.7.11.26 | 0.444 | |
| 3fr4 | F8A | Fatty acid-binding protein, adipocyte | / | 0.444 | |
| 4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 1qrr | UPG | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.443 | |
| 1in5 | ADP | Holliday junction ATP-dependent DNA helicase RuvB | / | 0.442 | |
| 4du8 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.442 | |
| 4ix5 | ANP | Uncharacterized protein | / | 0.442 | |
| 4y12 | AGS | Serine/threonine-protein kinase PknG | 2.7.11.1 | 0.442 | |
| 5c7o | NAD | Glyceraldehyde-3-phosphate dehydrogenase, testis-specific | 1.2.1.12 | 0.442 | |
| 2q46 | NAP | Uncharacterized protein At5g02240 | / | 0.441 | |
| 3el9 | DR7 | Gag-Pol polyprotein | 3.4.23.16 | 0.441 | |
| 3swr | SFG | DNA (cytosine-5)-methyltransferase 1 | 2.1.1.37 | 0.441 | |
| 4f08 | 1RS | Tyrosine-protein kinase JAK2 | / | 0.441 | |
| 1tqf | 32P | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 1u8f | NAD | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.12 | 0.440 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 2ddo | ATP | Pyridoxine/pyridoxal/pyridoxamine kinase | / | 0.440 | |
| 2qen | ADP | Walker-Type ATPase | / | 0.440 | |
| 4a6n | FAD | TetX family tetracycline inactivation enzyme | / | 0.440 | |
| 4wuc | ANP | DNA gyrase subunit B | / | 0.440 |