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 |
|---|---|---|---|
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 1.000 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.633 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.630 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.628 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.605 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.598 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.596 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.595 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.581 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.581 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.580 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.578 | |
| 2fyp | RDE | Endoplasmin | / | 0.572 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.572 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.567 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.565 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.565 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.564 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.564 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.563 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.559 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.556 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.556 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.555 | |
| 2exl | GDM | Endoplasmin | / | 0.554 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.553 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.553 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.552 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.551 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.550 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.550 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.550 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.550 | |
| 4xdm | GDM | Heat shock cognate 90 kDa protein | / | 0.550 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.549 | |
| 3k99 | PFT | Heat shock protein HSP 90-alpha | / | 0.548 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 1qy8 | RDI | Endoplasmin | / | 0.545 | |
| 2hg1 | N5O | Endoplasmin | / | 0.543 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.543 | |
| 2gfd | RDA | Endoplasmin | / | 0.542 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.541 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.539 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.538 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.535 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.534 | |
| 1u0z | RDC | Endoplasmin | / | 0.533 | |
| 2hch | N5A | Endoplasmin | / | 0.533 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.533 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.530 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.530 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.530 | |
| 1yt0 | ADP | Endoplasmin | / | 0.529 | |
| 1u2o | NEC | Endoplasmin | / | 0.526 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 2gqp | PA7 | Endoplasmin | / | 0.526 | |
| 3ied | AN2 | HSP90 | / | 0.526 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.523 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 2o1u | ANP | Endoplasmin | / | 0.520 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.518 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.518 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.517 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.515 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.512 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.511 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.511 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.511 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 2esa | GDM | Endoplasmin | / | 0.509 | |
| 2vcj | 2EQ | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 1qy5 | NEC | Endoplasmin | / | 0.507 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.506 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 1ysz | NEC | Endoplasmin | / | 0.505 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 2vwc | BC2 | ATP-dependent molecular chaperone HSP82 | / | 0.504 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.503 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.500 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.497 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 1u0y | PA7 | Endoplasmin | / | 0.493 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 2zdy | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.492 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.488 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.488 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.488 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.485 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 2xx5 | 13N | ATP-dependent molecular chaperone HSP82 | / | 0.480 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.479 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 1i5c | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.477 | |
| 1lrj | UD1 | UDP-glucose 4-epimerase | 5.1.3.2 | 0.476 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 3hz1 | 37D | Heat shock protein HSP 90-alpha | / | 0.475 | |
| 2yjx | YJX | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.470 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.469 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.468 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.464 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.463 | |
| 1nhh | ANP | DNA mismatch repair protein MutL | / | 0.460 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.460 | |
| 2wi4 | ZZ4 | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 4egh | 0OY | Heat shock protein HSP 90-alpha | / | 0.457 | |
| 1i59 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.456 | |
| 1i5a | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.455 | |
| 2e0a | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.454 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 1i58 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.453 | |
| 1i5b | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.453 | |
| 1uy6 | PU3 | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.452 | |
| 5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.452 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 5bsf | NAD | Pyrroline-5-carboxylate reductase | / | 0.451 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 2q8i | RDC | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | 2.7.11.2 | 0.449 | |
| 1kzj | CB3 | Thymidylate synthase | / | 0.448 | |
| 2yk2 | YJX | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 3fhx | PLP | Pyridoxal kinase | 2.7.1.35 | 0.448 | |
| 4nky | 3QZ | Steroid 17-alpha-hydroxylase/17,20 lyase | / | 0.448 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 2vci | 2GJ | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 1p44 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.445 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.445 | |
| 4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 4z64 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.445 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 3pej | BC2 | Endoplasmin homolog, putative | / | 0.444 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.444 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 2zdx | P4A | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.442 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.442 | |
| 1nzf | UPG | DNA beta-glucosyltransferase | / | 0.441 | |
| 2brb | PFQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.441 | |
| 2zkj | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.441 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 1x1c | SAH | C-20 methyltransferase | / | 0.440 |