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 |
|---|---|---|---|
| 3rlr | 3RR | Heat shock protein HSP 90-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 1.000 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.635 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.626 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.625 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.617 | |
| 1ysz | NEC | Endoplasmin | / | 0.609 | |
| 1qy8 | RDI | Endoplasmin | / | 0.593 | |
| 2gqp | PA7 | Endoplasmin | / | 0.593 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.593 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.593 | |
| 1u0z | RDC | Endoplasmin | / | 0.591 | |
| 2hch | N5A | Endoplasmin | / | 0.587 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.586 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.584 | |
| 1qy5 | NEC | Endoplasmin | / | 0.580 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.577 | |
| 1u0y | PA7 | Endoplasmin | / | 0.569 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.568 | |
| 3omu | IBD | Heat shock protein 83 | / | 0.568 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.565 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.562 | |
| 1u2o | NEC | Endoplasmin | / | 0.561 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.560 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.560 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.557 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.552 | |
| 2vw5 | BC6 | ATP-dependent molecular chaperone HSP82 | / | 0.552 | |
| 2gfd | RDA | Endoplasmin | / | 0.550 | |
| 1uy6 | PU3 | Heat shock protein HSP 90-alpha | / | 0.547 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.547 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.546 | |
| 2hg1 | N5O | Endoplasmin | / | 0.545 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.540 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.538 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.535 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.535 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.534 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.533 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.529 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.528 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.528 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.527 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.526 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.525 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.524 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.521 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.519 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.515 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 2exl | GDM | Endoplasmin | / | 0.513 | |
| 4efu | EFU | Heat shock protein HSP 90-alpha | / | 0.513 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.512 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.511 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.510 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.508 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.508 | |
| 2fyp | RDE | Endoplasmin | / | 0.508 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.508 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.508 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 1yc4 | 43P | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.503 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.502 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.500 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.499 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.498 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.497 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.497 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.495 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.493 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.492 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.492 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.489 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 2wi4 | ZZ4 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.487 | |
| 3o6o | 94M | Heat shock protein 83 | / | 0.486 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.484 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.482 | |
| 3ied | AN2 | HSP90 | / | 0.482 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.481 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.481 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.480 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.479 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.478 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.477 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.475 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.471 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 3h4l | ANP | DNA mismatch repair protein PMS1 | / | 0.465 | |
| 4awq | 592 | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.465 | |
| 2o1u | ANP | Endoplasmin | / | 0.462 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.460 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.459 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.457 | |
| 3r83 | Z14 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.457 | |
| 1hdr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.456 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.456 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.455 | |
| 2vke | TAC | Tetracycline repressor protein class D | / | 0.455 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 1k6t | XN1 | Gag-Pol polyprotein | 3.4.23.16 | 0.453 | |
| 4uwm | FMN | 3,6-diketocamphane 1,6 monooxygenase | 1.14.13 | 0.453 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.452 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.452 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.451 | |
| 2he5 | NDP | Aldo-keto reductase family 1 member C21 | 1.1.1 | 0.451 | |
| 2esa | GDM | Endoplasmin | / | 0.450 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.450 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.449 | |
| 3pej | BC2 | Endoplasmin homolog, putative | / | 0.449 | |
| 4g3j | VNT | Lanosterol 14-alpha-demethylase | / | 0.449 | |
| 2brb | PFQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.448 | |
| 3ha5 | SFG | Hydroxymycolate synthase MmaA4 | 2.1.1 | 0.448 | |
| 3k4n | FAD | Pyranose 2-oxidase | / | 0.448 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 5hs1 | VOR | Lanosterol 14-alpha demethylase | / | 0.447 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.446 | |
| 3pvc | FAD | tRNA 5-methylaminomethyl-2-thiouridine biosynthesis bifunctional protein MnmC | / | 0.446 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 4ihl | 1F5 | 14-3-3 protein zeta/delta | / | 0.446 | |
| 1owm | FAD | Deoxyribodipyrimidine photo-lyase | 4.1.99.3 | 0.445 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.445 | |
| 3bva | 2NC | Gag-Pol polyprotein | 3.4.23.16 | 0.445 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.444 | |
| 1pkf | EPD | Epothilone C/D epoxidase | 1.14 | 0.444 | |
| 2bu8 | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.444 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.444 | |
| 4kla | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.444 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.443 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.443 | |
| 3ogq | AB1 | Pol polyprotein | / | 0.443 | |
| 4c34 | STU | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.443 | |
| 4i8z | G08 | Gag-Pol polyprotein | 3.4.23.16 | 0.443 | |
| 5hwq | CAA | Hydroxymethylglutaryl-CoA synthase | / | 0.443 | |
| 1yt0 | ADP | Endoplasmin | / | 0.442 | |
| 1ee9 | NAD | Methylenetetrahydrofolate dehydrogenase [NAD(+)] | 1.5.1.15 | 0.441 | |
| 2qd3 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.441 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.441 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 2h55 | DZ8 | Heat shock protein HSP 90-alpha | / | 0.440 | |
| 3frq | ERY | Erythromycin resistance repressor protein | / | 0.440 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.440 |