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 |
|---|---|---|---|
| 2i16 | LDT | Aldose reductase | 1.1.1.21 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 2i16 | LDT | Aldose reductase | 1.1.1.21 | 1.000 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.799 | |
| 3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.790 | |
| 2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.778 | |
| 2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.757 | |
| 3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.756 | |
| 3ghu | LDT | Aldose reductase | 1.1.1.21 | 0.731 | |
| 3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.726 | |
| 3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.709 | |
| 3ght | LDT | Aldose reductase | 1.1.1.21 | 0.706 | |
| 2duz | ZST | Aldose reductase | 1.1.1.21 | 0.702 | |
| 1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.701 | |
| 2iki | 388 | Aldose reductase | 1.1.1.21 | 0.694 | |
| 2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.690 | |
| 2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.675 | |
| 1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.668 | |
| 2dux | ZST | Aldose reductase | 1.1.1.21 | 0.660 | |
| 2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.657 | |
| 2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.656 | |
| 1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.652 | |
| 3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.650 | |
| 2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.649 | |
| 1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.644 | |
| 3lql | LDT | Aldose reductase | 1.1.1.21 | 0.644 | |
| 3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.642 | |
| 2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.611 | |
| 2fz9 | ZST | Aldose reductase | 1.1.1.21 | 0.604 | |
| 4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.604 | |
| 3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.602 | |
| 2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.601 | |
| 3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.601 | |
| 2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.600 | |
| 2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.599 | |
| 2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.597 | |
| 2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.596 | |
| 2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.595 | |
| 2pdp | 393 | Aldose reductase | 1.1.1.21 | 0.594 | |
| 1iei | ZES | Aldose reductase | 1.1.1.21 | 0.592 | |
| 4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.592 | |
| 2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.589 | |
| 3len | ZST | Aldose reductase | 1.1.1.21 | 0.588 | |
| 3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.577 | |
| 3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.575 | |
| 2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.573 | |
| 2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.572 | |
| 1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.571 | |
| 1frb | ZST | Aldose reductase-related protein 2 | / | 0.570 | |
| 2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.569 | |
| 3t42 | 3T4 | Aldose reductase | 1.1.1.21 | 0.565 | |
| 2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.552 | |
| 1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.548 | |
| 2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.545 | |
| 1zua | TOL | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.535 | |
| 2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.531 | |
| 2pdw | FID | Aldose reductase | 1.1.1.21 | 0.517 | |
| 2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.515 | |
| 2pdy | FID | Aldose reductase | 1.1.1.21 | 0.502 | |
| 3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.501 | |
| 4ga8 | SBI | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.501 | |
| 2inz | OHP | Aldose reductase | 1.1.1.21 | 0.495 | |
| 2iqd | LPA | Aldose reductase | 1.1.1.21 | 0.494 | |
| 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 | 0.492 | |
| 1ry8 | RUT | Aldo-keto reductase family 1 member C3 | / | 0.482 | |
| 1lnm | DTX | Bilin-binding protein | / | 0.481 | |
| 3mjr | AC2 | Deoxycytidine kinase | 2.7.1.74 | 0.481 | |
| 2o8h | 227 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.480 | |
| 2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.478 | |
| 4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.475 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.473 | |
| 3hxe | BD8 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.472 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.471 | |
| 5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.471 | |
| 1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.469 | |
| 1eko | I84 | Aldose reductase | 1.1.1.21 | 0.467 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.467 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.466 | |
| 4d2d | ALA_ALA_ALA | Di-or tripeptide:H+ symporter | / | 0.465 | |
| 2agt | FID | Aldose reductase | 1.1.1.21 | 0.464 | |
| 1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.463 | |
| 2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.463 | |
| 4fcb | 0T7 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.463 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.462 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.462 | |
| 2xuj | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
| 3g58 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.461 | |
| 1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.460 | |
| 1p91 | SAM | 23S rRNA (guanine(745)-N(1))-methyltransferase | / | 0.459 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.459 | |
| 1lke | DOG | Bilin-binding protein | / | 0.458 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.458 | |
| 1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.458 | |
| 1y2b | DEE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.457 | |
| 3e4v | FMN | Uncharacterized protein | / | 0.457 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.457 | |
| 1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.456 | |
| 2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.456 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.455 | |
| 1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
| 1zkn | IBM | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.454 | |
| 2ct8 | MSP | Methionine--tRNA ligase | 6.1.1.10 | 0.454 | |
| 2our | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.454 | |
| 3qpn | PFK | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.454 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.454 | |
| 5c1g | GDU | Histo-blood group ABO system transferase | / | 0.454 | |
| 1p8d | CO1 | Oxysterols receptor LXR-beta | / | 0.453 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.453 | |
| 4llk | MEW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.453 | |
| 4std | BFS | Scytalone dehydratase | 4.2.1.94 | 0.453 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 1o6q | R17 | Squalene--hopene cyclase | 4.2.1.129 | 0.452 | |
| 2ea4 | F79 | Methionine aminopeptidase 2 | / | 0.452 | |
| 3c3x | NAP | Eugenol synthase 1 | 1.1.1.318 | 0.452 | |
| 3iak | EV1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.452 | |
| 3pz3 | PZ3 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.452 | |
| 4lsa | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.452 | |
| 1al7 | HST | Peroxisomal (S)-2-hydroxy-acid oxidase | 1.1.3.15 | 0.451 | |
| 3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.451 | |
| 3n3z | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.451 | |
| 3uzz | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.451 | |
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 3v35 | NTI | Aldose reductase | 1.1.1.21 | 0.450 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.450 | |
| 4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.450 | |
| 1vot | HUP | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.449 | |
| 2xnv | VU3 | Soluble acetylcholine receptor | / | 0.449 | |
| 3itu | IBM | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.449 | |
| 2nvc | ITA | Aldose reductase | 1.1.1.21 | 0.448 | |
| 2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 2xui | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 3tfu | PL8 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.448 | |
| 4jt8 | 1NR | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.448 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.447 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
| 3lz6 | A0D | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.447 | |
| 3p2v | DOY | Aldose reductase | 1.1.1.21 | 0.447 | |
| 3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.447 | |
| 1mlz | PLP | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.446 | |
| 1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 2aot | SAH | Histamine N-methyltransferase | 2.1.1.8 | 0.446 | |
| 2ovy | PFJ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.446 | |
| 3dyl | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.446 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 4ey7 | E20 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 4li6 | 1XO | Tankyrase-1 | 2.4.2.30 | 0.446 | |
| 1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.445 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.445 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 3c72 | CX1 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.445 | |
| 3u2c | SUZ | Aldose reductase | 1.1.1.21 | 0.445 | |
| 4e0u | 0MV | Cyclic dipeptide N-prenyltransferase | / | 0.445 | |
| 4pnr | G18 | Tankyrase-2 | 2.4.2.30 | 0.445 | |
| 1ihi | IU5 | Aldo-keto reductase family 1 member C2 | / | 0.444 | |
| 2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.444 | |
| 2r2l | PB9 | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.444 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 2ga2 | A19 | Methionine aminopeptidase 2 | / | 0.443 | |
| 3g49 | 3G4 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.443 | |
| 3szf | DCQ | Sulfide-quinone reductase | / | 0.443 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.443 | |
| 1gt5 | BZQ | Odorant-binding protein | / | 0.442 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.442 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.442 | |
| 1syn | F89 | Thymidylate synthase | / | 0.442 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 3dyq | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.442 | |
| 4kn2 | LYA | Folate receptor beta | / | 0.442 | |
| 4mt9 | 2D6 | Tankyrase-1 | 2.4.2.30 | 0.442 | |
| 2is7 | 2CL | Aldose reductase | 1.1.1.21 | 0.441 | |
| 2jf0 | HBP | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 4gts | 7TP | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.441 | |
| 2c6c | 24I | Glutamate carboxypeptidase 2 | 3.4.17.21 | 0.440 | |
| 2y0j | AXC | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.440 | |
| 4dbu | BT9 | Aldo-keto reductase family 1 member C3 | / | 0.440 | |
| 4jtr | IZP | Aldo-keto reductase family 1 member C2 | / | 0.440 | |
| 4kmz | FOL | Folate receptor beta | / | 0.440 | |
| 4kn0 | MTX | Folate receptor beta | / | 0.440 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.440 | |
| 4oex | 5EO | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.440 |