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 |
|---|---|---|---|
| 2yei | XQI | Heat shock protein HSP 90-alpha |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 2yei | XQI | Heat shock protein HSP 90-alpha | / | 1.000 | |
| 2yee | 2EC | Heat shock protein HSP 90-alpha | / | 0.644 | |
| 1uy8 | PU5 | Heat shock protein HSP 90-alpha | / | 0.627 | |
| 2fwy | H64 | Heat shock protein HSP 90-alpha | / | 0.620 | |
| 1uy6 | PU3 | Heat shock protein HSP 90-alpha | / | 0.617 | |
| 1uym | PU3 | Heat shock protein HSP 90-beta | / | 0.617 | |
| 2qg2 | A91 | Heat shock protein HSP 90-alpha | / | 0.614 | |
| 2ykj | YKJ | Heat shock protein HSP 90-alpha | / | 0.614 | |
| 1uy7 | PU4 | Heat shock protein HSP 90-alpha | / | 0.607 | |
| 4nh8 | 2LC | Heat shock protein HSP 90-alpha | / | 0.607 | |
| 2fwz | H71 | Heat shock protein HSP 90-alpha | / | 0.606 | |
| 3d0b | SNX | Heat shock protein HSP 90-alpha | / | 0.602 | |
| 3o0i | P54 | Heat shock protein HSP 90-alpha | / | 0.601 | |
| 2ykc | YKC | Heat shock protein HSP 90-alpha | / | 0.597 | |
| 2yki | YKI | Heat shock protein HSP 90-alpha | / | 0.597 | |
| 3ft8 | MOJ | Heat shock protein HSP 90-alpha | / | 0.597 | |
| 3hz5 | Z64 | Heat shock protein HSP 90-alpha | / | 0.596 | |
| 1uyk | PUX | Heat shock protein HSP 90-alpha | / | 0.594 | |
| 1uye | PU9 | Heat shock protein HSP 90-alpha | / | 0.591 | |
| 2wi7 | 2KL | Heat shock protein HSP 90-alpha | / | 0.588 | |
| 2ykb | YKB | Heat shock protein HSP 90-alpha | / | 0.588 | |
| 1uy9 | PU6 | Heat shock protein HSP 90-alpha | / | 0.587 | |
| 2yk2 | YJW | Heat shock protein HSP 90-alpha | / | 0.580 | |
| 4efu | EFU | Heat shock protein HSP 90-alpha | / | 0.579 | |
| 1uyi | PUZ | Heat shock protein HSP 90-alpha | / | 0.577 | |
| 3mnr | SD1 | Heat shock protein HSP 90-alpha | / | 0.576 | |
| 2yke | YKE | Heat shock protein HSP 90-alpha | / | 0.575 | |
| 3hz1 | 42C | Heat shock protein HSP 90-alpha | / | 0.572 | |
| 1uyh | PU0 | Heat shock protein HSP 90-alpha | / | 0.570 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.562 | |
| 3o6o | 94M | Heat shock protein 83 | / | 0.562 | |
| 3qdd | 94M | Heat shock protein HSP 90-alpha | / | 0.561 | |
| 2yej | ZZ3 | Heat shock protein HSP 90-alpha | / | 0.557 | |
| 2h55 | DZ8 | Heat shock protein HSP 90-alpha | / | 0.556 | |
| 1uyc | PU7 | Heat shock protein HSP 90-alpha | / | 0.552 | |
| 3inx | JZC | Heat shock protein HSP 90-alpha | / | 0.547 | |
| 3opd | HIE | Heat shock protein 83 | / | 0.543 | |
| 1uyf | PU1 | Heat shock protein HSP 90-alpha | / | 0.539 | |
| 4eft | EFT | Heat shock protein HSP 90-alpha | / | 0.538 | |
| 3k97 | 4CD | Heat shock protein HSP 90-alpha | / | 0.535 | |
| 3q5k | D1U | Heat shock protein 83-1 | / | 0.535 | |
| 4bqj | XKL | Heat shock protein HSP 90-alpha | / | 0.526 | |
| 2wi4 | ZZ4 | Heat shock protein HSP 90-alpha | / | 0.523 | |
| 3hz1 | 37D | Heat shock protein HSP 90-alpha | / | 0.520 | |
| 3inw | JZB | Heat shock protein HSP 90-alpha | / | 0.517 | |
| 2qg0 | A94 | Heat shock protein HSP 90-alpha | / | 0.512 | |
| 2yej | XQK | Heat shock protein HSP 90-alpha | / | 0.511 | |
| 3peh | IBD | Endoplasmin homolog, putative | / | 0.511 | |
| 3r4p | FU7 | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 4jql | VJ6 | Heat shock protein HSP 90-alpha | / | 0.510 | |
| 2bt0 | CT5 | Heat shock protein HSP 90-alpha | / | 0.508 | |
| 2xhr | C0P | Heat shock protein HSP 90-alpha | / | 0.507 | |
| 2xab | VHD | Heat shock protein HSP 90-alpha | / | 0.504 | |
| 4bqg | 50Q | Heat shock protein HSP 90-alpha | / | 0.501 | |
| 4awq | 592 | Heat shock protein HSP 90-alpha | / | 0.498 | |
| 3ekr | PY9 | Heat shock protein HSP 90-alpha | / | 0.492 | |
| 3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.491 | |
| 4ipe | ANP | TNF receptor-associated protein 1 | / | 0.491 | |
| 1osf | KOS | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 3ft5 | MO8 | Heat shock protein HSP 90-alpha | / | 0.490 | |
| 3r4o | FU3 | Heat shock protein HSP 90-alpha | / | 0.489 | |
| 4awp | 99A | Heat shock protein HSP 90-alpha | / | 0.486 | |
| 2wi6 | ZZ6 | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 2xjx | XJX | Heat shock protein HSP 90-alpha | / | 0.483 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.482 | |
| 1m13 | HYF | Nuclear receptor subfamily 1 group I member 2 | / | 0.481 | |
| 2exl | GDM | Endoplasmin | / | 0.481 | |
| 4asg | 814 | ATP-dependent molecular chaperone HSP82 | / | 0.481 | |
| 1yet | GDM | Heat shock protein HSP 90-alpha | / | 0.480 | |
| 2wi5 | ZZ5 | Heat shock protein HSP 90-alpha | / | 0.478 | |
| 1bgq | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.477 | |
| 1qy5 | NEC | Endoplasmin | / | 0.477 | |
| 2yjx | YJX | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 4fcr | 0TM | Heat shock protein HSP 90-alpha | / | 0.476 | |
| 2iwu | NP5 | ATP-dependent molecular chaperone HSP82 | / | 0.474 | |
| 2vci | 2GJ | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 3q5l | KX2 | Heat shock protein 83-1 | / | 0.474 | |
| 3r4n | FU5 | Heat shock protein HSP 90-alpha | / | 0.474 | |
| 1u0z | RDC | Endoplasmin | / | 0.473 | |
| 2yk2 | YJX | Heat shock protein HSP 90-alpha | / | 0.472 | |
| 2xx2 | 13C | ATP-dependent molecular chaperone HSP82 | / | 0.471 | |
| 3v2u | ATP | Protein GAL3 | / | 0.470 | |
| 4ipw | 1G7 | Mycocyclosin synthase | 1.14.21.9 | 0.470 | |
| 4nmb | FAD | Bifunctional protein PutA | / | 0.470 | |
| 5ikq | JMS | Prostaglandin G/H synthase 2 | 1.14.99.1 | 0.470 | |
| 4z1f | H71 | Heat shock protein 75 kDa, mitochondrial | / | 0.469 | |
| 2xcm | ADP | Cytosolic heat shock protein 90 | / | 0.468 | |
| 3vha | VHA | Heat shock protein HSP 90-alpha | / | 0.467 | |
| 3wha | WHA | Heat shock protein HSP 90-alpha | / | 0.467 | |
| 4fhf | 0TT | Spore photoproduct lyase | / | 0.467 | |
| 3ied | AN2 | HSP90 | / | 0.466 | |
| 2yeg | XQG | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 3b28 | B2X | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 3t2s | AGS | Heat shock protein HSP 90-alpha | / | 0.465 | |
| 3k98 | 1RC | Heat shock protein HSP 90-alpha | / | 0.463 | |
| 1yc1 | 4BC | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 2uwd | 2GG | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 2vw5 | BC6 | ATP-dependent molecular chaperone HSP82 | / | 0.462 | |
| 2yjw | YJW | Heat shock protein HSP 90-alpha | / | 0.462 | |
| 4asf | 62U | ATP-dependent molecular chaperone HSP82 | / | 0.462 | |
| 2oap | ANP | Type II secretion system protein (GspE-2) | / | 0.461 | |
| 2yef | ANP | Heat shock protein HSP 90-alpha | / | 0.461 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.460 | |
| 3pej | BC2 | Endoplasmin homolog, putative | / | 0.460 | |
| 4as9 | 4QS | ATP-dependent molecular chaperone HSP82 | / | 0.460 | |
| 1fxs | NAP | GDP-L-fucose synthase | / | 0.459 | |
| 1qbg | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.459 | |
| 3tk3 | CPZ | Cytochrome P450 2B4 | 1.14.14.1 | 0.459 | |
| 4xcl | AGS | Heat shock cognate 90 kDa protein | / | 0.459 | |
| 1y4s | ADP | Chaperone protein HtpG | / | 0.458 | |
| 2qfo | A51 | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 2xd6 | XD6 | ATP-dependent molecular chaperone HSP82 | / | 0.458 | |
| 2xjj | L81 | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 2yi7 | BZ8 | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 3rlr | 3RR | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 4awo | 99B | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 4b7p | 9UN | Heat shock protein HSP 90-alpha | / | 0.458 | |
| 4dpy | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.458 | |
| 2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.457 | |
| 1byq | ADP | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.456 | |
| 1nup | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.456 | |
| 2byh | 2D7 | Heat shock protein HSP 90-alpha | / | 0.456 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.456 | |
| 4xdm | GDM | Heat shock cognate 90 kDa protein | / | 0.456 | |
| 3ibd | CPZ | Cytochrome P450 2B6 | 1.14.13 | 0.455 | |
| 4h98 | 14Q | Uncharacterized protein | / | 0.455 | |
| 4n6h | EJ4 | Delta-type opioid receptor | / | 0.455 | |
| 3ggc | H26 | Hypoxanthine-guanine phosphoribosyltransferase | 2.4.2.8 | 0.454 | |
| 4egi | B2J | Heat shock protein HSP 90-alpha | / | 0.454 | |
| 4rh1 | 0TT | Spore photoproduct lyase | / | 0.454 | |
| 4xcj | ADP | Heat shock cognate 90 kDa protein | / | 0.454 | |
| 1u3d | FAD | Cryptochrome-1 | / | 0.453 | |
| 1yc3 | 4BC | Heat shock protein HSP 90-alpha | / | 0.453 | |
| 3gep | 24H | Hypoxanthine-guanine phosphoribosyltransferase | 2.4.2.8 | 0.453 | |
| 4nh9 | 2LC | Endoplasmin | / | 0.453 | |
| 1qy8 | RDI | Endoplasmin | / | 0.451 | |
| 2brc | CT5 | ATP-dependent molecular chaperone HSP82 | / | 0.451 | |
| 3hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.451 | |
| 3s1d | ZIR | Cytokinin dehydrogenase 1 | 1.5.99.12 | 0.451 | |
| 1fml | RTL | Retinol dehydratase | / | 0.450 | |
| 1lsj | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.450 | |
| 1sej | F89 | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.450 | |
| 1zmd | NAI | Dihydrolipoyl dehydrogenase, mitochondrial | 1.8.1.4 | 0.450 | |
| 2bsm | BSM | Heat shock protein HSP 90-alpha | / | 0.450 | |
| 3kb1 | ADP | Iron-sulfur cluster carrier protein | / | 0.450 | |
| 3sp6 | IL2 | Peroxisome proliferator-activated receptor alpha | / | 0.450 | |
| 5hs1 | VOR | Lanosterol 14-alpha demethylase | / | 0.450 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
| 1rb3 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1ysz | NEC | Endoplasmin | / | 0.449 | |
| 4b10 | NHW | Glycylpeptide N-tetradecanoyltransferase | / | 0.449 | |
| 1bsv | NDP | GDP-L-fucose synthase | / | 0.448 | |
| 1uda | UFG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.448 | |
| 2bxm | IMN | Serum albumin | / | 0.448 | |
| 2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 3t10 | ACP | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 4hy6 | FJ1 | Heat shock protein HSP 90-alpha | / | 0.448 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.448 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.447 | |
| 1r2j | FAD | FkbI | / | 0.447 | |
| 2w9s | TOP | Dihydrofolate reductase type 1 from Tn4003 | 1.5.1.3 | 0.447 | |
| 3gwf | NAP | Cyclohexanone monooxygenase | / | 0.447 | |
| 3vn2 | TLS | Peroxisome proliferator-activated receptor gamma | / | 0.447 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 2q5g | 1FA | Peroxisome proliferator-activated receptor delta | / | 0.446 | |
| 4ce2 | BO5 | ATP-dependent molecular chaperone HSP82 | / | 0.446 | |
| 4yao | FMN | NADPH--cytochrome P450 reductase | / | 0.446 | |
| 1zrz | BI1 | Protein kinase C iota type | 2.7.11.13 | 0.445 | |
| 2nq8 | ZID | Enoyl-ACP reductase | / | 0.445 | |
| 2xx5 | 13N | ATP-dependent molecular chaperone HSP82 | / | 0.445 | |
| 3jqp | A2P | Ferredoxin--NADP reductase, apicoplast | / | 0.445 | |
| 4xwt | U5P | Ribonuclease J | / | 0.445 | |
| 5a4k | FAD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.445 | |
| 1nyx | DRF | Peroxisome proliferator-activated receptor gamma | / | 0.444 | |
| 2iwx | M1S | ATP-dependent molecular chaperone HSP82 | / | 0.444 | |
| 2vna | NAP | Prostaglandin reductase 2 | 1.3.1.48 | 0.444 | |
| 2wep | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.444 | |
| 3cyl | VIT | Basic phospholipase A2 homolog piratoxin-2 | / | 0.444 | |
| 3eek | 53S | Uncharacterized protein | / | 0.444 | |
| 3hyz | 42C | Heat shock protein HSP 90-alpha | / | 0.444 | |
| 4f4d | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.444 | |
| 1cjk | FOK | Adenylate cyclase type 2 | / | 0.443 | |
| 1cjk | FOK | Adenylate cyclase type 5 | / | 0.443 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.443 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 4lxj | LAN | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.443 | |
| 5a3b | APR | SIR2 family protein | / | 0.443 | |
| 1am1 | ADP | ATP-dependent molecular chaperone HSP82 | / | 0.442 | |
| 1diu | BDM | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.442 | |
| 2fxs | RDA | ATP-dependent molecular chaperone HSP82 | / | 0.442 | |
| 4gqt | ADP | Heat shock protein 90 | / | 0.442 | |
| 4irn | FAD | AnaB | / | 0.442 | |
| 4jib | 1L6 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.442 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 1phg | MYT | Camphor 5-monooxygenase | 1.14.15.1 | 0.441 | |
| 2fyp | RDE | Endoplasmin | / | 0.441 | |
| 2qd4 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.441 | |
| 2wer | RDC | ATP-dependent molecular chaperone HSP82 | / | 0.441 | |
| 3th8 | TH9 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.441 | |
| 1bws | NDP | GDP-L-fucose synthase | / | 0.440 | |
| 1cf3 | FAD | Glucose oxidase | 1.1.3.4 | 0.440 | |
| 1oc1 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 1omo | NAD | Alanine dehydrogenase | / | 0.440 | |
| 2dv4 | SAH | Diphthine synthase | / | 0.440 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.440 | |
| 2idz | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
| 2ktd | PUC | Prostaglandin-H2 D-isomerase | 5.3.99.2 | 0.440 | |
| 3ssn | MVI | Mycinamicin VI 2''-O-methyltransferase | / | 0.440 | |
| 4nm9 | FAD | Bifunctional protein PutA | / | 0.440 | |
| 4wud | ANP | DNA gyrase subunit B | / | 0.440 |