sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 4gqt | ADP | Heat shock protein 90 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site 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 | / | 0.621 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.617 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.609 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.606 | |
| 3vha | VHA | 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 | / | 0.600 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.594 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.594 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.593 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.593 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.590 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.588 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.581 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.577 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.574 | |
| 1ysz | NEC | Endoplasmin | / | 0.569 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.567 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.566 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.564 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.563 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.562 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.562 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.560 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.551 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.549 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.548 | |
| 2vw5 | BC6 | ATP-dependent molecular chaperone HSP82 | / | 0.547 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 1u2o | NEC | Endoplasmin | / | 0.544 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.544 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 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 | |
| 2hch | N5A | Endoplasmin | / | 0.540 | |
| 1u0z | RDC | Endoplasmin | / | 0.538 | |
| 1qy8 | RDI | Endoplasmin | / | 0.537 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.537 | |
| 2gqp | PA7 | Endoplasmin | / | 0.536 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.535 | |
| 2gfd | RDA | Endoplasmin | / | 0.529 | |
| 2fyp | RDE | Endoplasmin | / | 0.528 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 2o1u | ANP | Endoplasmin | / | 0.526 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.526 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.523 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.518 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.517 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 2hg1 | N5O | Endoplasmin | / | 0.516 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.515 | |
| 4ivg | ANP | TNF receptor-associated protein 1 | / | 0.514 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.512 | |
| 2vwc | BC2 | ATP-dependent molecular chaperone HSP82 | / | 0.510 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 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 | |
| 1qy5 | NEC | Endoplasmin | / | 0.505 | |
| 3h4l | ANP | DNA mismatch repair protein PMS1 | / | 0.502 | |
| 2zdy | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.501 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.500 | |
| 3eko | PYU | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 1yt0 | ADP | Endoplasmin | / | 0.498 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.498 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.497 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.497 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.497 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.496 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.495 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.494 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.494 | |
| 2exl | GDM | Endoplasmin | / | 0.494 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 1u0y | PA7 | Endoplasmin | / | 0.492 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.492 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 2esa | GDM | Endoplasmin | / | 0.490 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.489 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.485 | |
| 1yc4 | 43P | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 2e0a | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.482 | |
| 1gjv | AGS | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | 2.7.11.4 | 0.480 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.479 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.479 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.477 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 1z59 | ADP | Type 2 DNA topoisomerase 6 subunit B | / | 0.476 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.476 | |
| 3o6o | 94M | Heat shock protein 83 | / | 0.476 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.473 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.473 | |
| 2bu2 | ATP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.471 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.469 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.469 | |
| 1uy6 | PU3 | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 3omu | IBD | Heat shock protein 83 | / | 0.463 | |
| 1nhh | ANP | DNA mismatch repair protein MutL | / | 0.462 | |
| 2zkj | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.462 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 1jm6 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.461 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 1i5a | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.459 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.459 | |
| 2j4z | 626 | Aurora kinase A | 2.7.11.1 | 0.458 | |
| 1i58 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.456 | |
| 2ekl | NAD | D-3-phosphoglycerate dehydrogenase | / | 0.455 | |
| 3rlp | 3RP | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.454 | |
| 2uwd | 2GG | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 3qp0 | NI8 | Gag-Pol polyprotein | 3.4.23.16 | 0.453 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 3nxe | 2NC | Protease | / | 0.451 | |
| 4p9d | TMP | Deoxycytidylate deaminase | / | 0.451 | |
| 4wud | ANP | DNA gyrase subunit B | / | 0.451 | |
| 1i58 | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.450 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 2qhc | AB1 | Protease | / | 0.448 | |
| 4wri | OKA | Okadaic acid binding protein 2-alpha | / | 0.448 | |
| 2vcj | 2EQ | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.447 | |
| 1a8g | 2Z4 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 1z5a | ADP | Type 2 DNA topoisomerase 6 subunit B | / | 0.446 | |
| 3dds | 26B | Glycogen phosphorylase, liver form | 2.4.1.1 | 0.446 | |
| 3pej | BC2 | Endoplasmin homolog, putative | / | 0.446 | |
| 1i5c | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.444 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 3ggx | GGX | Gag-Pol polyprotein | / | 0.443 | |
| 3nbv | ANP | Ketohexokinase | / | 0.443 | |
| 4oae | CLM | Uncharacterized protein | / | 0.443 | |
| 1zmc | NAD | Dihydrolipoyl dehydrogenase, mitochondrial | 1.8.1.4 | 0.442 | |
| 2dcn | ADP | 2-keto-3-deoxy-gluconate kinase | / | 0.442 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.442 | |
| 3qih | NI7 | Gag-Pol polyprotein | 3.4.23.16 | 0.442 | |
| 4hjf | C2E | GGDEF family protein | / | 0.442 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.441 | |
| 1hos | PHP | Gag-Pol polyprotein | / | 0.441 | |
| 2q5k | AB1 | Protease | / | 0.441 | |
| 3frq | ERY | Erythromycin resistance repressor protein | / | 0.441 | |
| 3pju | C2E | Diguanylate cyclase/phosphodiesterase | / | 0.441 | |
| 2qi3 | MZ5 | Gag-Pol polyprotein | / | 0.440 | |
| 3cyx | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.440 |