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 |
|---|---|---|---|
| 1ah0 | SBI | Aldose reductase | 1.1.1.21 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ah0 | SBI | Aldose reductase | 1.1.1.21 | 1.000 | |
| 1eko | I84 | Aldose reductase | 1.1.1.21 | 0.636 | |
| 3u2c | SUZ | Aldose reductase | 1.1.1.21 | 0.624 | |
| 1ef3 | FID | Aldose reductase | 1.1.1.21 | 0.619 | |
| 2iqd | LPA | Aldose reductase | 1.1.1.21 | 0.610 | |
| 4gab | FID | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.597 | |
| 2pdk | SBI | Aldose reductase | 1.1.1.21 | 0.596 | |
| 2inz | OHP | Aldose reductase | 1.1.1.21 | 0.594 | |
| 2nvc | ITA | Aldose reductase | 1.1.1.21 | 0.593 | |
| 1pwm | FID | Aldose reductase | 1.1.1.21 | 0.578 | |
| 2pd9 | FID | Aldose reductase | 1.1.1.21 | 0.578 | |
| 2is7 | 2CL | Aldose reductase | 1.1.1.21 | 0.564 | |
| 2pdy | FID | Aldose reductase | 1.1.1.21 | 0.558 | |
| 2pdw | FID | Aldose reductase | 1.1.1.21 | 0.555 | |
| 3s3g | TLT | Aldose reductase | 1.1.1.21 | 0.552 | |
| 2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.543 | |
| 2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.543 | |
| 4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.538 | |
| 2pdm | ZST | Aldose reductase | 1.1.1.21 | 0.536 | |
| 3p2v | DOY | Aldose reductase | 1.1.1.21 | 0.526 | |
| 5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.521 | |
| 2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.519 | |
| 1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.512 | |
| 2hvn | ZST | Aldose reductase | 1.1.1.21 | 0.510 | |
| 2pdj | 393 | Aldose reductase | 1.1.1.21 | 0.498 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.495 | |
| 3b82 | NAD | Exotoxin A | 2.4.2.36 | 0.486 | |
| 3bv7 | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.486 | |
| 4ddr | MMV | Dihydrofolate reductase | 1.5.1.3 | 0.485 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.479 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.479 | |
| 2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.478 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 1pax | DHQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.474 | |
| 3pz3 | PZ3 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.474 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.473 | |
| 1ry8 | RUT | Aldo-keto reductase family 1 member C3 | / | 0.472 | |
| 2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.472 | |
| 4k4e | K4E | Tankyrase-1 | 2.4.2.30 | 0.472 | |
| 3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.470 | |
| 2agt | FID | Aldose reductase | 1.1.1.21 | 0.469 | |
| 2fb8 | 215 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.469 | |
| 4bj9 | UHB | Tankyrase-2 | 2.4.2.30 | 0.469 | |
| 1ejb | INJ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.468 | |
| 1az1 | ALR | Aldose reductase | 1.1.1.21 | 0.467 | |
| 3gey | P34 | Poly [ADP-ribose] polymerase 15 | 2.4.2.30 | 0.467 | |
| 3v35 | NTI | Aldose reductase | 1.1.1.21 | 0.467 | |
| 3cv7 | C2U | Alcohol dehydrogenase [NADP(+)] | 1.1.1.2 | 0.464 | |
| 3o73 | O73 | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.463 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.463 | |
| 4bjb | P34 | Tankyrase-2 | 2.4.2.30 | 0.463 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.462 | |
| 4ddl | 0JQ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.462 | |
| 1e2l | TMC | Thymidine kinase | / | 0.461 | |
| 4kfj | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.461 | |
| 1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.460 | |
| 2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.460 | |
| 3rl4 | 5GP | Metallophosphoesterase MPPED2 | 3.1 | 0.460 | |
| 4ga8 | SBI | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.460 | |
| 1xng | DND | NH(3)-dependent NAD(+) synthetase | 6.3.1.5 | 0.459 | |
| 2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.459 | |
| 4tjy | 3GN | Tankyrase-2 | 2.4.2.30 | 0.459 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.458 | |
| 4m6k | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.457 | |
| 5dsy | UHB | Poly [ADP-ribose] polymerase 2 | 2.4.2.30 | 0.457 | |
| 1vot | HUP | Acetylcholinesterase | 3.1.1.7 | 0.456 | |
| 1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.456 | |
| 1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.456 | |
| 4gts | 7TP | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.456 | |
| 1fml | RTL | Retinol dehydratase | / | 0.455 | |
| 1iei | ZES | Aldose reductase | 1.1.1.21 | 0.455 | |
| 2bfm | TOP | Pteridine reductase 1 | 1.5.1.33 | 0.455 | |
| 2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.455 | |
| 1u70 | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.454 | |
| 2dux | ZST | Aldose reductase | 1.1.1.21 | 0.454 | |
| 4kn0 | MTX | Folate receptor beta | / | 0.454 | |
| 4oew | 5IO | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.454 | |
| 5ds3 | 09L | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.454 | |
| 2xuj | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.453 | |
| 3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.453 | |
| 3mau | PLR | Putative sphingosine-1-phosphate lyase | / | 0.453 | |
| 2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.452 | |
| 4fk3 | 325 | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.452 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.451 | |
| 2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.451 | |
| 2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.451 | |
| 2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.451 | |
| 2xlp | NAP | Putative flavin-containing monooxygenase | / | 0.451 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.451 | |
| 5kf9 | ACO | Predicted acetyltransferase | / | 0.451 | |
| 1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.450 | |
| 1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.450 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.450 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.450 | |
| 4tvj | 09L | Poly [ADP-ribose] polymerase 2 | 2.4.2.30 | 0.450 | |
| 1e1f | PSG | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1, chloroplastic | 3.2.1.182 | 0.449 | |
| 3vf6 | 0H6 | Glucokinase | 2.7.1.2 | 0.449 | |
| 4lmc | C5P | Nucleoprotein | / | 0.449 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.448 | |
| 3aiv | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic | 3.2.1.182 | 0.448 | |
| 5kf8 | ACO | Predicted acetyltransferase | / | 0.448 | |
| 1y6q | TDI | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | 3.2.2.9 | 0.447 | |
| 2d06 | EST | Sulfotransferase 1A1 | 2.8.2.1 | 0.447 | |
| 2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.447 | |
| 2zu9 | GDP | Mannosyl-3-phosphoglycerate synthase | 2.4.1.217 | 0.447 | |
| 4u07 | ATP | Adenosine monophosphate-protein transferase FICD | 2.7.7.n1 | 0.447 | |
| 1q5m | NDP | Prostaglandin-E(2) 9-reductase | 1.1.1.189 | 0.446 | |
| 1zq5 | E04 | Aldo-keto reductase family 1 member C3 | / | 0.446 | |
| 2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.446 | |
| 3ghw | GHW | Dihydrofolate reductase | 1.5.1.3 | 0.446 | |
| 4ajd | F04 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
| 4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 4dbu | BT9 | Aldo-keto reductase family 1 member C3 | / | 0.446 | |
| 4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.446 | |
| 4j7g | TRH | PCZA361.3 | / | 0.446 | |
| 4l5b | 1UX | Deoxycytidine kinase | 2.7.1.74 | 0.446 | |
| 2c1z | KMP | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.445 | |
| 2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.445 | |
| 2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.445 | |
| 1dls | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1mlz | PLP | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.444 | |
| 1pj6 | FOL | Dimethylglycine oxidase | 1.5.3.10 | 0.444 | |
| 1pr4 | MTP | Purine nucleoside phosphorylase DeoD-type | / | 0.444 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.444 | |
| 2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.444 | |
| 3c49 | KU8 | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.444 | |
| 3gyf | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3k45 | 51P | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 3nu0 | 3TU | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4lm4 | JPZ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 1kyx | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.443 | |
| 2vi5 | Y19 | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.443 | |
| 3ppk | FNI | Serine/threonine-protein kinase B-raf | 2.7.11.1 | 0.443 | |
| 4b12 | C23 | Glycylpeptide N-tetradecanoyltransferase | / | 0.443 | |
| 4kn1 | 04J | Folate receptor beta | / | 0.443 | |
| 7cat | NDP | Catalase | 1.11.1.6 | 0.443 | |
| 1isg | AGS | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 | 3.2.2.6 | 0.442 | |
| 1ych | FMN | Nitric oxide reductase | 1 | 0.442 | |
| 2a3b | CFF | Endochitinase B1 | 3.2.1.14 | 0.442 | |
| 3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.442 | |
| 3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.442 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 3nub | UD0 | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.441 | |
| 3t0k | DCQ | Sulfide-quinone reductase | / | 0.441 | |
| 4ajm | 3A6 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
| 4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 4l6s | 1WQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.441 | |
| 1sg0 | STL | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.440 | |
| 1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.440 | |
| 2c9z | QUE | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.440 | |
| 2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.440 | |
| 3bur | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.440 | |
| 3buv | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.440 | |
| 3voi | RCB | Glucanase | / | 0.440 | |
| 4bjc | RPB | Tankyrase-2 | 2.4.2.30 | 0.440 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.440 | |
| 4gv0 | 8ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.440 | |
| 4hlm | 16S | Tankyrase-2 | 2.4.2.30 | 0.440 |