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 |
|---|---|---|---|
| 3ld5 | LDT | Aldose reductase | 1.1.1.21 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ld5 | LDT | Aldose reductase | 1.1.1.21 | 1.000 | |
| 2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.769 | |
| 2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.744 | |
| 3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.717 | |
| 3ght | LDT | Aldose reductase | 1.1.1.21 | 0.714 | |
| 3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.707 | |
| 2iki | 388 | Aldose reductase | 1.1.1.21 | 0.682 | |
| 1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.681 | |
| 2dux | ZST | Aldose reductase | 1.1.1.21 | 0.677 | |
| 2duz | ZST | Aldose reductase | 1.1.1.21 | 0.665 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.659 | |
| 2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.654 | |
| 3ghu | LDT | Aldose reductase | 1.1.1.21 | 0.647 | |
| 1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.626 | |
| 3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.623 | |
| 2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.620 | |
| 2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.619 | |
| 3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.619 | |
| 1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.616 | |
| 2pdp | 393 | Aldose reductase | 1.1.1.21 | 0.611 | |
| 3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.608 | |
| 3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.602 | |
| 2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.601 | |
| 2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.597 | |
| 2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.594 | |
| 4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.594 | |
| 1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.593 | |
| 4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.593 | |
| 2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.591 | |
| 2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.584 | |
| 1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.583 | |
| 2pdm | ZST | Aldose reductase | 1.1.1.21 | 0.582 | |
| 3len | ZST | Aldose reductase | 1.1.1.21 | 0.581 | |
| 2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.580 | |
| 2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.579 | |
| 3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.579 | |
| 1iei | ZES | Aldose reductase | 1.1.1.21 | 0.576 | |
| 2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.576 | |
| 3lql | LDT | Aldose reductase | 1.1.1.21 | 0.575 | |
| 2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.573 | |
| 2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.570 | |
| 3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.570 | |
| 2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.568 | |
| 2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.567 | |
| 3t42 | 3T4 | Aldose reductase | 1.1.1.21 | 0.567 | |
| 2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.558 | |
| 3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.554 | |
| 2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.553 | |
| 3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.552 | |
| 2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.546 | |
| 1frb | ZST | Aldose reductase-related protein 2 | / | 0.537 | |
| 2pdj | 393 | Aldose reductase | 1.1.1.21 | 0.537 | |
| 2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.515 | |
| 2fz9 | ZST | Aldose reductase | 1.1.1.21 | 0.514 | |
| 2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.513 | |
| 1zua | TOL | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.507 | |
| 2iqd | LPA | Aldose reductase | 1.1.1.21 | 0.504 | |
| 2inz | OHP | Aldose reductase | 1.1.1.21 | 0.500 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.487 | |
| 1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.484 | |
| 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 | 0.484 | |
| 1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.482 | |
| 1lke | DOG | Bilin-binding protein | / | 0.481 | |
| 1yw7 | A41 | Methionine aminopeptidase 2 | / | 0.472 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.472 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.469 | |
| 1lnm | DTX | Bilin-binding protein | / | 0.468 | |
| 2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.466 | |
| 4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.466 | |
| 1u65 | CP0 | Acetylcholinesterase | 3.1.1.7 | 0.464 | |
| 2ga2 | A19 | Methionine aminopeptidase 2 | / | 0.464 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.463 | |
| 3aiq | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase 1b, chloroplastic | 3.2.1.182 | 0.463 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.463 | |
| 4lsa | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.463 | |
| 2pdy | FID | Aldose reductase | 1.1.1.21 | 0.462 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.462 | |
| 1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.461 | |
| 1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.460 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.460 | |
| 4g2w | NI0 | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.460 | |
| 1udt | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.459 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.459 | |
| 1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.458 | |
| 2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.456 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.456 | |
| 3g4k | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
| 4ara | C56 | Acetylcholinesterase | 3.1.1.7 | 0.455 | |
| 4e0u | 0MV | Cyclic dipeptide N-prenyltransferase | / | 0.455 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
| 1s9d | AFB | Cytohesin-2 | / | 0.454 | |
| 1s9d | AFB | ADP-ribosylation factor 1 | / | 0.454 | |
| 1ut6 | A8N | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
| 2xuj | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.453 | |
| 3jq8 | DX3 | Pteridine reductase, putative | / | 0.453 | |
| 3rj0 | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.453 | |
| 1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.452 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.452 | |
| 3mjr | AC2 | Deoxycytidine kinase | 2.7.1.74 | 0.452 | |
| 4jt8 | 1NR | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.452 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.451 | |
| 3g49 | 3G4 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.450 | |
| 3sl8 | JN7 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.450 | |
| 4gh6 | LUO | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.450 | |
| 2oaz | I96 | Methionine aminopeptidase 2 | / | 0.449 | |
| 2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
| 4phl | PIL | Phosphodiesterase | / | 0.449 | |
| 5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.449 | |
| 3ny9 | JSZ | Beta-2 adrenergic receptor | / | 0.449 | |
| 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 | 0.448 | |
| 1y60 | H4M | 5,6,7,8-tetrahydromethanopterin hydro-lyase | 4.2.1.147 | 0.448 | |
| 3af4 | GCP | Pantothenate kinase | 2.7.1.33 | 0.448 | |
| 3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.448 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.448 | |
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
| 1zgc | A2E | Acetylcholinesterase | 3.1.1.7 | 0.447 | |
| 3gfb | NAD | L-threonine 3-dehydrogenase | / | 0.447 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.447 | |
| 4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.447 | |
| 4u16 | 3C0 | Muscarinic acetylcholine receptor M3 | / | 0.447 | |
| 1m9n | AMZ | Bifunctional purine biosynthesis protein PURH | 2.1.2.3 | 0.446 | |
| 2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.446 | |
| 3dyq | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.446 | |
| 3hxe | BD8 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.446 | |
| 4d2d | ALA_ALA_ALA | Di-or tripeptide:H+ symporter | / | 0.446 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 3djf | BC3 | Purine nucleoside phosphorylase | / | 0.445 | |
| 3dyl | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.445 | |
| 1vkg | CRI | Histone deacetylase 8 | 3.5.1.98 | 0.444 | |
| 2xi4 | AFT | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.444 | |
| 2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 1r58 | AO5 | Methionine aminopeptidase 2 | / | 0.442 | |
| 2agt | FID | Aldose reductase | 1.1.1.21 | 0.442 | |
| 2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 3pz3 | PZ3 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.442 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.442 | |
| 4heu | 15J | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 4kw5 | 1W6 | Decaprenylphosphoryl-beta-D-ribose oxidase | / | 0.442 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.441 | |
| 2zsd | COA | Pantothenate kinase | 2.7.1.33 | 0.441 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.441 | |
| 1h35 | R01 | Squalene--hopene cyclase | 4.2.1.129 | 0.440 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 2o8h | 227 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 | |
| 2wey | EV1 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 | |
| 4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.440 | |
| 4ga8 | SBI | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.440 | |
| 4gn6 | TYL | Lactoperoxidase | 1.11.1.7 | 0.440 |