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 |
|---|---|---|---|
| 2pdj | 393 | Aldose reductase | 1.1.1.21 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2pdj | 393 | Aldose reductase | 1.1.1.21 | 1.000 | |
| 3p2v | DOY | Aldose reductase | 1.1.1.21 | 0.621 | |
| 2nvc | ITA | Aldose reductase | 1.1.1.21 | 0.596 | |
| 2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.593 | |
| 2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.565 | |
| 2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.554 | |
| 2pdm | ZST | Aldose reductase | 1.1.1.21 | 0.539 | |
| 2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.534 | |
| 2pdi | ZST | Aldose reductase | 1.1.1.21 | 0.532 | |
| 2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.531 | |
| 2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.531 | |
| 1eko | I84 | Aldose reductase | 1.1.1.21 | 0.516 | |
| 2hvn | ZST | Aldose reductase | 1.1.1.21 | 0.515 | |
| 3v35 | NTI | Aldose reductase | 1.1.1.21 | 0.514 | |
| 2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.513 | |
| 2iqd | LPA | Aldose reductase | 1.1.1.21 | 0.511 | |
| 1iei | ZES | Aldose reductase | 1.1.1.21 | 0.509 | |
| 2pdk | SBI | Aldose reductase | 1.1.1.21 | 0.509 | |
| 3s3g | TLT | Aldose reductase | 1.1.1.21 | 0.507 | |
| 1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.503 | |
| 2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.497 | |
| 3ght | LDT | Aldose reductase | 1.1.1.21 | 0.496 | |
| 2inz | OHP | Aldose reductase | 1.1.1.21 | 0.495 | |
| 2is7 | 2CL | Aldose reductase | 1.1.1.21 | 0.495 | |
| 1ef3 | FID | Aldose reductase | 1.1.1.21 | 0.494 | |
| 2pd9 | FID | Aldose reductase | 1.1.1.21 | 0.494 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.491 | |
| 2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.491 | |
| 2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.491 | |
| 3ghu | LDT | Aldose reductase | 1.1.1.21 | 0.491 | |
| 4gab | FID | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.489 | |
| 2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.488 | |
| 2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.488 | |
| 2pdw | FID | Aldose reductase | 1.1.1.21 | 0.488 | |
| 3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.488 | |
| 2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.487 | |
| 3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.485 | |
| 2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.484 | |
| 2agt | FID | Aldose reductase | 1.1.1.21 | 0.482 | |
| 2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.482 | |
| 1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.481 | |
| 1zua | TOL | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.481 | |
| 3lql | LDT | Aldose reductase | 1.1.1.21 | 0.481 | |
| 2iki | 388 | Aldose reductase | 1.1.1.21 | 0.476 | |
| 3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.476 | |
| 4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.475 | |
| 3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.474 | |
| 2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.472 | |
| 1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.471 | |
| 3u2c | SUZ | Aldose reductase | 1.1.1.21 | 0.471 | |
| 2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.469 | |
| 2aot | SAH | Histamine N-methyltransferase | 2.1.1.8 | 0.468 | |
| 2duz | ZST | Aldose reductase | 1.1.1.21 | 0.467 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.467 | |
| 2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.466 | |
| 2pev | NDP | Aldose reductase | 1.1.1.21 | 0.466 | |
| 3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.466 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.464 | |
| 1ah0 | SBI | Aldose reductase | 1.1.1.21 | 0.463 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.463 | |
| 3d3p | 20A | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.462 | |
| 3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.462 | |
| 2dux | ZST | Aldose reductase | 1.1.1.21 | 0.461 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.461 | |
| 3wd9 | QPC | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.460 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.458 | |
| 3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.458 | |
| 4hhz | 15S | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.458 | |
| 2wzy | SQX | Soluble acetylcholine receptor | / | 0.457 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.457 | |
| 3v94 | WYQ | Phosphodiesterase | / | 0.457 | |
| 2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.456 | |
| 3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.456 | |
| 3o57 | ZG2 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.456 | |
| 1pwm | FID | Aldose reductase | 1.1.1.21 | 0.455 | |
| 4jpg | 1OX | Pyruvate kinase PKM | 2.7.1.40 | 0.455 | |
| 1mlz | PLP | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.454 | |
| 2pdy | FID | Aldose reductase | 1.1.1.21 | 0.454 | |
| 3bw4 | FMN | Putative 2-nitropropane dioxygenase | / | 0.454 | |
| 1u08 | PLP | Methionine aminotransferase | / | 0.453 | |
| 2acu | NAP | Aldose reductase | 1.1.1.21 | 0.453 | |
| 3ug8 | IMN | Aldo-keto reductase family 1 member C3 | / | 0.453 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.453 | |
| 4htx | 19F | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.453 | |
| 1fml | RTL | Retinol dehydratase | / | 0.452 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.452 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.452 | |
| 2g7y | MO9 | Cathepsin S | 3.4.22.27 | 0.452 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.452 | |
| 4imo | PWZ | Prostaglandin-H2 D-isomerase | 5.3.99.2 | 0.452 | |
| 1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 4fcb | 0T7 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.451 | |
| 4kq6 | DLZ | 6,7-dimethyl-8-ribityllumazine synthase | / | 0.451 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.450 | |
| 3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.450 | |
| 3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.450 | |
| 4tvj | 09L | Poly [ADP-ribose] polymerase 2 | 2.4.2.30 | 0.450 | |
| 1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.449 | |
| 3wav | DWV | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | 3.1.4.39 | 0.449 | |
| 1x1b | SAH | C-20 methyltransferase | / | 0.448 | |
| 2vrj | NCW | Beta-glucosidase A | 3.2.1.21 | 0.448 | |
| 3caq | NDP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.448 | |
| 3l3m | A92 | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.448 | |
| 1mkd | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
| 1w4l | GL8 | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
| 3cv7 | C2U | Alcohol dehydrogenase [NADP(+)] | 1.1.1.2 | 0.447 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.447 | |
| 3w5e | NVW | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.447 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
| 4llk | MEW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.447 | |
| 3exf | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.446 | |
| 3exf | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.446 | |
| 3nub | UD0 | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.446 | |
| 4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.446 | |
| 1jqd | SAH | Histamine N-methyltransferase | 2.1.1.8 | 0.445 | |
| 3r7m | SUZ | Aldo-keto reductase family 1 member C3 | / | 0.445 | |
| 4ajd | F04 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.445 | |
| 4e0u | 0MV | Cyclic dipeptide N-prenyltransferase | / | 0.445 | |
| 1yci | NDF | Hypoxia-inducible factor 1-alpha inhibitor | 1.14.11.30 | 0.444 | |
| 2r2l | PB9 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.443 | |
| 4je5 | PLP | Aromatic/aminoadipate aminotransferase 1 | 2.6.1.39 | 0.443 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.442 | |
| 1x2e | ATX | Proline iminopeptidase | 3.4.11.5 | 0.442 | |
| 1xng | DND | NH(3)-dependent NAD(+) synthetase | 6.3.1.5 | 0.442 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.442 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.442 | |
| 4bjb | P34 | Tankyrase-2 | 2.4.2.30 | 0.442 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.441 | |
| 2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
| 3fvu | IAC | Kynurenine--oxoglutarate transaminase 1 | 2.6.1.7 | 0.441 | |
| 3q7f | ED2 | Uncharacterized protein | / | 0.441 | |
| 4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
| 1uk1 | FRQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.440 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.440 | |
| 3sl8 | JN7 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 | |
| 4hhy | 15R | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.440 | |
| 4j7g | TRH | PCZA361.3 | / | 0.440 |