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 |
|---|---|---|---|
| 2fyp | RDE | Endoplasmin |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2fyp | RDE | Endoplasmin | / | 1.000 | |
| 2gfd | RDA | Endoplasmin | / | 0.610 | |
| 2hch | N5A | Endoplasmin | / | 0.606 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.594 | |
| 1u0z | RDC | Endoplasmin | / | 0.584 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.581 | |
| 2gqp | PA7 | Endoplasmin | / | 0.580 | |
| 1ysz | NEC | Endoplasmin | / | 0.579 | |
| 1u2o | NEC | Endoplasmin | / | 0.575 | |
| 2hg1 | N5O | Endoplasmin | / | 0.569 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.568 | |
| 1qy8 | RDI | Endoplasmin | / | 0.560 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.554 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.549 | |
| 2exl | GDM | Endoplasmin | / | 0.543 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.543 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.543 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.543 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.541 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.540 | |
| 1qy5 | NEC | Endoplasmin | / | 0.537 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.536 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.527 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.521 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.518 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.516 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.512 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.511 | |
| 1u0y | PA7 | Endoplasmin | / | 0.510 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 2vw5 | BC6 | ATP-dependent molecular chaperone HSP82 | / | 0.501 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.498 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.497 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.497 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.495 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.494 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.494 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.493 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.488 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.485 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.485 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.482 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.480 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.479 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 3ied | AN2 | HSP90 | / | 0.478 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.475 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.475 | |
| 2o1u | ANP | Endoplasmin | / | 0.475 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.472 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.468 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.466 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 2esa | GDM | Endoplasmin | / | 0.465 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.464 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.464 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.464 | |
| 4xdm | GDM | Heat shock cognate 90 kDa protein | / | 0.464 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 2aa3 | AP0 | L-lactate dehydrogenase | / | 0.461 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.461 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 2yxu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.458 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.458 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.456 | |
| 4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.455 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.454 | |
| 1yt0 | ADP | Endoplasmin | / | 0.453 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 1lol | XMP | Orotidine 5'-phosphate decarboxylase | 4.1.1.23 | 0.452 | |
| 2zdy | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.450 | |
| 4gb9 | 0WR | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.450 | |
| 5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.450 | |
| 5bsf | NAD | Pyrroline-5-carboxylate reductase | / | 0.449 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.448 | |
| 2zkj | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.447 | |
| 4a6n | FAD | TetX family tetracycline inactivation enzyme | / | 0.444 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.442 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.442 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.441 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.441 | |
| 4nes | UD1 | UDP-N-acetylglucosamine 2-epimerase | 5.1.3.14 | 0.441 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.440 |