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 |
|---|---|---|---|
| 3ghu | LDT | Aldose reductase | 1.1.1.21 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 3ghu | LDT | Aldose reductase | 1.1.1.21 | 1.000 | |
| 3ght | LDT | Aldose reductase | 1.1.1.21 | 0.829 | |
| 3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.815 | |
| 2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.813 | |
| 1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.806 | |
| 2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.805 | |
| 3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.783 | |
| 3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.755 | |
| 2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.749 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.727 | |
| 2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.718 | |
| 2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.701 | |
| 3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.693 | |
| 1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.689 | |
| 2dux | ZST | Aldose reductase | 1.1.1.21 | 0.687 | |
| 2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.683 | |
| 2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.669 | |
| 3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.659 | |
| 2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.651 | |
| 2duz | ZST | Aldose reductase | 1.1.1.21 | 0.649 | |
| 1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.639 | |
| 2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.625 | |
| 3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.624 | |
| 2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.621 | |
| 3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.617 | |
| 2pdp | 393 | Aldose reductase | 1.1.1.21 | 0.615 | |
| 2pdu | 393 | Aldose reductase | 1.1.1.21 | 0.615 | |
| 2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.610 | |
| 4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.610 | |
| 2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.602 | |
| 3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.602 | |
| 2pdb | ZST | Aldose reductase | 1.1.1.21 | 0.599 | |
| 2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.599 | |
| 3t42 | 3T4 | Aldose reductase | 1.1.1.21 | 0.599 | |
| 4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.599 | |
| 3lql | LDT | Aldose reductase | 1.1.1.21 | 0.597 | |
| 3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.597 | |
| 3len | ZST | Aldose reductase | 1.1.1.21 | 0.592 | |
| 2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.590 | |
| 3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.590 | |
| 2pd5 | ZST | Aldose reductase | 1.1.1.21 | 0.589 | |
| 2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.589 | |
| 3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.587 | |
| 1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.585 | |
| 1frb | ZST | Aldose reductase-related protein 2 | / | 0.580 | |
| 2pdj | 393 | Aldose reductase | 1.1.1.21 | 0.580 | |
| 1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.578 | |
| 2fz9 | ZST | Aldose reductase | 1.1.1.21 | 0.578 | |
| 2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.578 | |
| 2iki | 388 | Aldose reductase | 1.1.1.21 | 0.576 | |
| 2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.575 | |
| 2ikh | LIT | Aldose reductase | 1.1.1.21 | 0.564 | |
| 1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.522 | |
| 2pdy | FID | Aldose reductase | 1.1.1.21 | 0.516 | |
| 2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.505 | |
| 1eko | I84 | Aldose reductase | 1.1.1.21 | 0.496 | |
| 2is7 | 2CL | Aldose reductase | 1.1.1.21 | 0.495 | |
| 1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.491 | |
| 2agt | FID | Aldose reductase | 1.1.1.21 | 0.491 | |
| 2pdw | FID | Aldose reductase | 1.1.1.21 | 0.489 | |
| 2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.486 | |
| 4lrh | FOL | Folate receptor alpha | / | 0.477 | |
| 2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.476 | |
| 2nvc | ITA | Aldose reductase | 1.1.1.21 | 0.476 | |
| 5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.476 | |
| 3e4v | FMN | Uncharacterized protein | / | 0.474 | |
| 4u95 | MIY | Multidrug efflux pump subunit AcrB | / | 0.474 | |
| 3v35 | NTI | Aldose reductase | 1.1.1.21 | 0.470 | |
| 4x7z | ZM3 | Mycinamicin III 3''-O-methyltransferase | 2.1.1.237 | 0.470 | |
| 3r8h | ZOM | Aldo-keto reductase family 1 member C3 | / | 0.468 | |
| 3zec | ANP | Adenosine monophosphate-protein transferase SoFic | 2.7.7.n1 | 0.468 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.468 | |
| 2iqd | LPA | Aldose reductase | 1.1.1.21 | 0.467 | |
| 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 | 0.467 | |
| 3gfb | NAD | L-threonine 3-dehydrogenase | / | 0.466 | |
| 2xup | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.465 | |
| 4dz5 | NAP | Aldo-keto reductase family 1 member C3 | / | 0.464 | |
| 4jt8 | 1NR | NAD-dependent protein deacetylase sirtuin-3, mitochondrial | 3.5.1 | 0.464 | |
| 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 | |
| 3u2c | SUZ | Aldose reductase | 1.1.1.21 | 0.463 | |
| 2ipi | AKY | Aclacinomycin-N/aclacinomycin-A oxidase | / | 0.462 | |
| 4xo7 | ASD | Aldo-keto reductase family 1 member C2 | / | 0.461 | |
| 3c3x | NAP | Eugenol synthase 1 | 1.1.1.318 | 0.460 | |
| 4hmn | 16J | Aldo-keto reductase family 1 member C3 | / | 0.460 | |
| 1s36 | CEI | Obelin | / | 0.459 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.459 | |
| 2ga2 | A19 | Methionine aminopeptidase 2 | / | 0.459 | |
| 3uzx | AOX | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.459 | |
| 4u16 | 3C0 | Muscarinic acetylcholine receptor M3 | / | 0.459 | |
| 3uzz | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.458 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.458 | |
| 4d2d | ALA_ALA_ALA | Di-or tripeptide:H+ symporter | / | 0.458 | |
| 1odc | A8B | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.457 | |
| 2bfm | TOP | Pteridine reductase 1 | 1.5.1.33 | 0.457 | |
| 1zgb | A1E | Acetylcholinesterase | 3.1.1.7 | 0.456 | |
| 2cbq | TH2 | Neocarzinostatin | / | 0.456 | |
| 2wey | EV1 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.456 | |
| 4i5x | FLF | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.456 | |
| 4kmz | FOL | Folate receptor beta | / | 0.456 | |
| 2ea4 | F79 | Methionine aminopeptidase 2 | / | 0.455 | |
| 2wsa | 646 | Glycylpeptide N-tetradecanoyltransferase | / | 0.455 | |
| 1e66 | HUX | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
| 1lnm | DTX | Bilin-binding protein | / | 0.454 | |
| 4kn2 | LYA | Folate receptor beta | / | 0.454 | |
| 4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.454 | |
| 1oyn | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
| 2acq | NAP | Aldose reductase | 1.1.1.21 | 0.453 | |
| 2c6c | 24I | Glutamate carboxypeptidase 2 | 3.4.17.21 | 0.453 | |
| 2inz | OHP | Aldose reductase | 1.1.1.21 | 0.453 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 1s1r | NAP | Aldo-keto reductase family 1 member C3 | / | 0.452 | |
| 2bjs | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.452 | |
| 3r43 | ID8 | Aldo-keto reductase family 1 member C3 | / | 0.452 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.452 | |
| 5fd8 | A5A | Putative carboxypeptidase yocD | / | 0.452 | |
| 5std | UNN | Scytalone dehydratase | 4.2.1.94 | 0.452 | |
| 2puc | GUN | HTH-type transcriptional repressor PurR | / | 0.451 | |
| 3g4k | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 3hxe | BD8 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.451 | |
| 4lsa | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.451 | |
| 1gpn | HUB | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 1vkg | CRI | Histone deacetylase 8 | 3.5.1.98 | 0.450 | |
| 2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.450 | |
| 3gf4 | UPG | UDP-galactopyranose mutase | 5.4.99.9 | 0.450 | |
| 3r58 | NPS | Aldo-keto reductase family 1 member C3 | / | 0.450 | |
| 3tfu | PL8 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.450 | |
| 1dgh | NDP | Catalase | 1.11.1.6 | 0.449 | |
| 1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.449 | |
| 2xuj | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.449 | |
| 3nub | UD0 | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.449 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.449 | |
| 4bj9 | UHB | Tankyrase-2 | 2.4.2.30 | 0.449 | |
| 1gt5 | BZQ | Odorant-binding protein | / | 0.448 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.447 | |
| 4bjb | P34 | Tankyrase-2 | 2.4.2.30 | 0.447 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.447 | |
| 1eve | E20 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 1ihi | IU5 | Aldo-keto reductase family 1 member C2 | / | 0.446 | |
| 1qv0 | CZH | Obelin | / | 0.446 | |
| 1zkn | IBM | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 3o73 | O73 | Ribosyldihydronicotinamide dehydrogenase [quinone] | / | 0.446 | |
| 3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.446 | |
| 4ey7 | E20 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 4mm7 | 29J | Na(+):neurotransmitter symporter (Snf family) | / | 0.446 | |
| 1pj6 | FOL | Dimethylglycine oxidase | 1.5.3.10 | 0.445 | |
| 1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
| 1yw9 | A84 | Methionine aminopeptidase 2 | / | 0.445 | |
| 2psj | CEI | Renilla-luciferin 2-monooxygenase | 1.13.12.5 | 0.445 | |
| 3af4 | GCP | Pantothenate kinase | 2.7.1.33 | 0.445 | |
| 3buv | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.445 | |
| 3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.445 | |
| 4i9i | 1DY | Tankyrase-1 | 2.4.2.30 | 0.445 | |
| 4odo | FK5 | Peptidyl-prolyl cis-trans isomerase | / | 0.445 | |
| 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 | 0.444 | |
| 1q5m | NDP | Prostaglandin-E(2) 9-reductase | 1.1.1.189 | 0.444 | |
| 1s2c | FLF | Aldo-keto reductase family 1 member C3 | / | 0.444 | |
| 1s9d | AFB | Cytohesin-2 | / | 0.444 | |
| 1s9d | AFB | ADP-ribosylation factor 1 | / | 0.444 | |
| 2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 3iu9 | T07 | Methionine aminopeptidase 2 | / | 0.444 | |
| 3rth | RTH | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 3uwe | VJJ | Aldo-keto reductase family 1 member C3 | / | 0.444 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 4b13 | X25 | Glycylpeptide N-tetradecanoyltransferase | / | 0.444 | |
| 4kn0 | MTX | Folate receptor beta | / | 0.444 | |
| 3wi2 | P98 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.443 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 4e0u | 0MV | Cyclic dipeptide N-prenyltransferase | / | 0.443 | |
| 1kyv | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.442 | |
| 1p91 | SAM | 23S rRNA (guanine(745)-N(1))-methyltransferase | / | 0.442 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.442 | |
| 1yw7 | A41 | Methionine aminopeptidase 2 | / | 0.442 | |
| 2zb8 | IMN | Prostaglandin reductase 2 | 1.3.1.48 | 0.442 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 4llk | MEW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 1dgb | NDP | Catalase | 1.11.1.6 | 0.441 | |
| 1r58 | AO5 | Methionine aminopeptidase 2 | / | 0.441 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 3rj0 | BLD | Protein BRASSINOSTEROID INSENSITIVE 1 | 2.7.10.1 | 0.441 | |
| 3u3o | 3QV | Sulfotransferase 1A1 | 2.8.2.1 | 0.441 | |
| 3u57 | DH8 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.441 | |
| 4ey6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 4kp6 | 1S1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.441 | |
| 1kwc | BPY | Biphenyl-2,3-diol 1,2-dioxygenase | 1.13.11.39 | 0.440 | |
| 1kyy | INI | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.440 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.440 | |
| 1u08 | PLP | Methionine aminotransferase | / | 0.440 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.440 | |
| 2vt4 | P32 | Beta-1 adrenergic receptor | / | 0.440 | |
| 3h7r | NAP | Aldo-keto reductase family 4 member C8 | / | 0.440 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.440 | |
| 4a32 | 2CD | Glycylpeptide N-tetradecanoyltransferase | / | 0.440 | |
| 4hcy | 0YN | Transketolase | / | 0.440 |