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 |
|---|---|---|---|
| 4fcr | 0TM | Heat shock protein HSP 90-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 1.000 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.643 | |
| 1ysz | NEC | Endoplasmin | / | 0.638 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.628 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.624 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.616 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.602 | |
| 2bz5 | AB4 | Heat shock protein HSP 90-alpha | / | 0.599 | |
| 2gqp | PA7 | Endoplasmin | / | 0.597 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.596 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.595 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.590 | |
| 2hch | N5A | Endoplasmin | / | 0.587 | |
| 2gfd | RDA | Endoplasmin | / | 0.585 | |
| 1u2o | NEC | Endoplasmin | / | 0.584 | |
| 2xk2 | ADP | Heat shock protein HSP 90-alpha | / | 0.580 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.579 | |
| 2hg1 | N5O | Endoplasmin | / | 0.578 | |
| 1u0z | RDC | Endoplasmin | / | 0.574 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.572 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.570 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.570 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.568 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.568 | |
| 1qy8 | RDI | Endoplasmin | / | 0.567 | |
| 2fyp | RDE | Endoplasmin | / | 0.565 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.565 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.565 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.564 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.563 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.560 | |
| 4ce1 | 7FK | ATP-dependent molecular chaperone HSP82 | / | 0.560 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.558 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.556 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.553 | |
| 1qy5 | NEC | Endoplasmin | / | 0.552 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.552 | |
| 1u0y | PA7 | Endoplasmin | / | 0.549 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.549 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.548 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.546 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 3hek | BD0 | Heat shock protein HSP 90-alpha | / | 0.546 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.545 | |
| 3t1k | ANP | Heat shock protein HSP 90-alpha | / | 0.545 | |
| 2byi | 2DD | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.544 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.543 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.542 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.540 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.540 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.539 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.539 | |
| 2bre | KJ2 | ATP-dependent molecular chaperone HSP82 | / | 0.537 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.537 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.536 | |
| 4xc0 | ACP | Heat shock cognate 90 kDa protein | / | 0.536 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.532 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.531 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.530 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.530 | |
| 5f5r | ANP | Heat shock protein 75 kDa, mitochondrial | / | 0.528 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.526 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.524 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.522 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.521 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.521 | |
| 2exl | GDM | Endoplasmin | / | 0.518 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.518 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.516 | |
| 1amw | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.514 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.514 | |
| 4xdm | GDM | Heat shock cognate 90 kDa protein | / | 0.512 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.511 | |
| 3omu | IBD | Heat shock protein 83 | / | 0.511 | |
| 4ce3 | L4V | ATP-dependent molecular chaperone HSP82 | / | 0.511 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.509 | |
| 2xht | C0Y | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.506 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.505 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 3ied | AN2 | HSP90 | / | 0.503 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.503 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.502 | |
| 4egk | RDC | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.500 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.499 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.497 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 2h55 | DZ8 | Heat shock protein HSP 90-alpha | / | 0.496 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.496 | |
| 4ivg | ANP | TNF receptor-associated protein 1 | / | 0.496 | |
| 2wi4 | ZZ4 | Heat shock protein HSP 90-alpha | / | 0.494 | |
| 3c11 | GDM | ATP-dependent molecular chaperone HSP82 | / | 0.494 | |
| 2o1u | ANP | Endoplasmin | / | 0.493 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.492 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 2esa | GDM | Endoplasmin | / | 0.489 | |
| 3t0z | ATP | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 1uy6 | PU3 | Heat shock protein HSP 90-alpha | / | 0.488 | |
| 3opd | HIE | Heat shock protein 83 | / | 0.488 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.487 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.486 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.481 | |
| 2iws | NP4 | ATP-dependent molecular chaperone HSP82 | / | 0.481 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.479 | |
| 1d4a | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.479 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.479 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.479 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.474 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 2o1v | ADP | Endoplasmin | / | 0.472 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.472 | |
| 2xx4 | 13I | ATP-dependent molecular chaperone HSP82 | / | 0.471 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.470 | |
| 2cgf | P2N | ATP-dependent molecular chaperone HSP82 | / | 0.469 | |
| 1n2s | NAI | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.468 | |
| 2yi5 | YI5 | Heat shock protein HSP 90-alpha | / | 0.468 | |
| 3jqp | A2P | Ferredoxin--NADP reductase, apicoplast | / | 0.467 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.466 | |
| 2uwd | 2GG | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.466 | |
| 2zdy | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.464 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.464 | |
| 3o6o | 94M | Heat shock protein 83 | / | 0.463 | |
| 5hwq | CAA | Hydroxymethylglutaryl-CoA synthase | / | 0.463 | |
| 1e7q | NAP | GDP-L-fucose synthase | / | 0.461 | |
| 2yjw | YJW | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 3orf | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.460 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.459 | |
| 4yaw | 2AM | NADPH--cytochrome P450 reductase | / | 0.459 | |
| 1dir | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.458 | |
| 2bsm | BSM | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.458 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.457 | |
| 3r83 | Z14 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.457 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 1uzw | CDH | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 1yt0 | ADP | Endoplasmin | / | 0.456 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.455 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.454 | |
| 2xjx | XJX | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.454 | |
| 4jnk | ZHK | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.454 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.454 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.453 | |
| 1hdr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.453 | |
| 1kbq | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.452 | |
| 2q59 | 240 | Peroxisome proliferator-activated receptor gamma | / | 0.452 | |
| 3eyh | IZA | Tyrosine-protein kinase JAK1 | / | 0.452 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.452 | |
| 2qfo | A13 | Heat shock protein HSP 90-alpha | / | 0.451 | |
| 5cwa | 0GA | Anthranilate synthase component 1 | 4.1.3.27 | 0.451 | |
| 1cqp | 803 | Integrin alpha-L | / | 0.450 | |
| 1u4d | DBQ | Activated CDC42 kinase 1 | / | 0.450 | |
| 2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.450 | |
| 2xjj | L81 | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 1qo8 | FAD | Fumarate reductase flavoprotein subunit | / | 0.449 | |
| 2yi6 | 6QM | Heat shock protein HSP 90-alpha | / | 0.449 | |
| 1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 1lf2 | R37 | Plasmepsin-2 | 3.4.23.39 | 0.448 | |
| 1zrz | BI1 | Protein kinase C iota type | 2.7.11.13 | 0.448 | |
| 2nry | STU | Interleukin-1 receptor-associated kinase 4 | 2.7.11.1 | 0.448 | |
| 5ftf | ADP | TPR domain protein | / | 0.448 | |
| 1eup | ASD | 6-deoxyerythronolide B hydroxylase | / | 0.447 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 2brb | PFQ | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.447 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.447 | |
| 2j14 | GNI | Peroxisome proliferator-activated receptor delta | / | 0.447 | |
| 4g2l | 0WL | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 4r21 | STR | Cytochrome P450 family 17 polypeptide 2 | / | 0.447 | |
| 4yau | 2AM | NADPH--cytochrome P450 reductase | / | 0.447 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.446 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 2clq | STU | Mitogen-activated protein kinase kinase kinase 5 | 2.7.11.25 | 0.446 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.446 | |
| 2q8i | RDC | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial | 2.7.11.2 | 0.446 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.446 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 3d2r | ADP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, mitochondrial | 2.7.11.2 | 0.446 | |
| 3pej | BC2 | Endoplasmin homolog, putative | / | 0.446 | |
| 4c34 | STU | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.446 | |
| 4efu | EFU | Heat shock protein HSP 90-alpha | / | 0.446 | |
| 4tuv | CPZ | Cytochrome P450 119 | 1.14 | 0.446 | |
| 1i5c | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.445 | |
| 2e9u | A25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.445 | |
| 3gob | HXX | DdmC | / | 0.445 | |
| 3gu8 | 3GU | Death-associated protein kinase 1 | 2.7.11.1 | 0.445 | |
| 3h4l | ANP | DNA mismatch repair protein PMS1 | / | 0.445 | |
| 3ha5 | SFG | Hydroxymycolate synthase MmaA4 | 2.1.1 | 0.445 | |
| 3tki | S25 | Serine/threonine-protein kinase Chk1 | 2.7.11.1 | 0.445 | |
| 4yal | 2AM | NADPH--cytochrome P450 reductase | / | 0.445 | |
| 1cf3 | FAD | Glucose oxidase | 1.1.3.4 | 0.444 | |
| 1gjv | AGS | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | 2.7.11.4 | 0.444 | |
| 2ign | FAD | Pyranose 2-oxidase | / | 0.444 | |
| 2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.444 | |
| 3bbr | BHY | Glutamate receptor 2 | / | 0.444 | |
| 3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 4amb | DUD | Putative glycosyl transferase | / | 0.444 | |
| 4qgi | ROC | Gag-Pol polyprotein | 3.4.23.16 | 0.444 | |
| 5hs1 | VOR | Lanosterol 14-alpha demethylase | / | 0.444 | |
| 1i58 | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.443 | |
| 2hfu | MEV | Mevalonate kinase | / | 0.443 | |
| 2yi7 | BZ8 | Heat shock protein HSP 90-alpha | / | 0.443 | |
| 2yxu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.443 | |
| 3cuk | FAD | D-amino-acid oxidase | 1.4.3.3 | 0.443 | |
| 3frq | ERY | Erythromycin resistance repressor protein | / | 0.443 | |
| 3k4n | FAD | Pyranose 2-oxidase | / | 0.443 | |
| 4ewn | 0VR | Imidazole glycerol phosphate synthase subunit HisF | 4.1.3 | 0.442 | |
| 4ips | 1G4 | Mycocyclosin synthase | 1.14.21.9 | 0.442 | |
| 4jaz | STL | Peroxisome proliferator-activated receptor gamma | / | 0.442 | |
| 1adf | TAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 1gg5 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.441 | |
| 1h66 | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.441 | |
| 2vwc | BC2 | ATP-dependent molecular chaperone HSP82 | / | 0.441 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 4j2w | FAD | Kynurenine 3-monooxygenase | / | 0.441 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.440 | |
| 2ekl | NAD | D-3-phosphoglycerate dehydrogenase | / | 0.440 | |
| 3r9u | FAD | Thioredoxin reductase | / | 0.440 | |
| 4awo | 99B | Heat shock protein HSP 90-alpha | / | 0.440 |