sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
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 |
|---|---|---|---|
| 4gqt | ADP | Heat shock protein 90 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4gqt | ADP | Heat shock protein 90 | / | 1.000 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.678 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.632 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.632 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.620 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.616 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.609 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.606 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.602 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.598 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.594 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.594 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.594 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.593 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.589 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.589 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.583 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.575 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.574 | |
| 1ysz | NEC | Endoplasmin | / | 0.566 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.565 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.564 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.564 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.561 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.561 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.561 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.556 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.556 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.556 | |
| 2fyp | RDE | Endoplasmin | / | 0.550 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.549 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.548 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.548 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.545 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.543 | |
| 1u2o | NEC | Endoplasmin | / | 0.543 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.543 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.543 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.543 | |
| 1qy8 | RDI | Endoplasmin | / | 0.538 | |
| 1u0z | RDC | Endoplasmin | / | 0.536 | |
| 2gqp | PA7 | Endoplasmin | / | 0.534 | |
| 2hch | N5A | Endoplasmin | / | 0.534 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.534 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.533 | |
| 2gfd | RDA | Endoplasmin | / | 0.529 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 2o1u | ANP | Endoplasmin | / | 0.526 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.525 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.523 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.522 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.518 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.517 | |
| 2hg1 | N5O | Endoplasmin | / | 0.516 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.515 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.512 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.511 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 2vwc | BC2 | ATP-dependent molecular chaperone HSP82 | / | 0.510 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.509 | |
| 3ied | AN2 | HSP90 | / | 0.509 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.508 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.508 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.505 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 1qy5 | NEC | Endoplasmin | / | 0.504 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.504 | |
| 2o1v | ADP | Endoplasmin | / | 0.504 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.500 | |
| 1yt0 | ADP | Endoplasmin | / | 0.498 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.497 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.495 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.494 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 1u0y | PA7 | Endoplasmin | / | 0.492 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 2zdy | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.491 | |
| 2esa | GDM | Endoplasmin | / | 0.490 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 2exl | GDM | Endoplasmin | / | 0.489 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.488 | |
| 2wi4 | ZZ4 | Heat shock protein HSP 90-alpha | / | 0.487 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.487 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.485 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 2e0a | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.482 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 3hz1 | 37D | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.481 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.479 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.477 | |
| 1z59 | ADP | Type 2 DNA topoisomerase 6 subunit B | / | 0.476 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.476 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.476 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.475 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 1lrj | UD1 | UDP-glucose 4-epimerase | 5.1.3.2 | 0.472 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 2bu2 | ATP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.471 | |
| 3o6o | 94M | Heat shock protein 83 | / | 0.471 | |
| 1gjv | AGS | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | 2.7.11.4 | 0.470 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.469 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.467 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 1jm6 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.460 | |
| 1nhh | ANP | DNA mismatch repair protein MutL | / | 0.460 | |
| 1uy6 | PU3 | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 1i5a | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.459 | |
| 2zkj | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.458 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 1i58 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.456 | |
| 1zmc | NAD | Dihydrolipoyl dehydrogenase, mitochondrial | 1.8.1.4 | 0.455 | |
| 3rlp | 3RP | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 2uwd | 2GG | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 3q5l | KX2 | Heat shock protein 83-1 | / | 0.453 | |
| 3qp0 | NI8 | Gag-Pol polyprotein | 3.4.23.16 | 0.452 | |
| 1rdw | LAR | Actin, alpha skeletal muscle | / | 0.451 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.450 | |
| 3nxe | 2NC | Protease | / | 0.450 | |
| 4p9d | TMP | Deoxycytidylate deaminase | / | 0.450 | |
| 3gu7 | ADP | Death-associated protein kinase 1 | 2.7.11.1 | 0.449 | |
| 4hjf | C2E | GGDEF family protein | / | 0.449 | |
| 2qhc | AB1 | Protease | / | 0.448 | |
| 3qih | FG7 | Gag-Pol polyprotein | 3.4.23.16 | 0.448 | |
| 2ekl | NAD | D-3-phosphoglycerate dehydrogenase | / | 0.447 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.447 | |
| 2yk2 | YJX | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 4awq | 592 | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 1a8g | 2Z4 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 2vcj | 2EQ | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 3pej | BC2 | Endoplasmin homolog, putative | / | 0.446 | |
| 4wud | ANP | DNA gyrase subunit B | / | 0.445 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 4nxv | GDP | Mitochondrial dynamics protein MID51 | / | 0.444 | |
| 1i5c | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.443 | |
| 3dds | 26B | Glycogen phosphorylase, liver form | 2.4.1.1 | 0.443 | |
| 3ggx | GGX | Gag-Pol polyprotein | / | 0.443 | |
| 3qih | NI7 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 3zv6 | 4HB | Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase | 1.3.1.56 | 0.443 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 4l4a | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 1hos | PHP | Gag-Pol polyprotein | / | 0.440 |