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 |
|---|---|---|---|
| 5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 1.000 | |
| 4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.646 | |
| 2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.528 | |
| 2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.526 | |
| 2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.522 | |
| 1ah3 | TOL | Aldose reductase | 1.1.1.21 | 0.514 | |
| 1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.509 | |
| 2f2k | TGG | Aldose reductase | 1.1.1.21 | 0.507 | |
| 2iqd | LPA | Aldose reductase | 1.1.1.21 | 0.502 | |
| 3v35 | NTI | Aldose reductase | 1.1.1.21 | 0.502 | |
| 2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.500 | |
| 1pax | DHQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.496 | |
| 1oyn | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.491 | |
| 2inz | OHP | Aldose reductase | 1.1.1.21 | 0.491 | |
| 1a26 | CNA | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.488 | |
| 2is7 | 2CL | Aldose reductase | 1.1.1.21 | 0.487 | |
| 2pdy | FID | Aldose reductase | 1.1.1.21 | 0.487 | |
| 3sl8 | JN7 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.487 | |
| 1ah0 | SBI | Aldose reductase | 1.1.1.21 | 0.485 | |
| 1zq5 | E04 | Aldo-keto reductase family 1 member C3 | / | 0.485 | |
| 2nvc | ITA | Aldose reductase | 1.1.1.21 | 0.485 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.484 | |
| 2agt | FID | Aldose reductase | 1.1.1.21 | 0.482 | |
| 1iei | ZES | Aldose reductase | 1.1.1.21 | 0.481 | |
| 2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.480 | |
| 2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.480 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.480 | |
| 1v08 | NTZ | 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 | 0.479 | |
| 2pdk | SBI | Aldose reductase | 1.1.1.21 | 0.479 | |
| 3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.479 | |
| 2dux | ZST | Aldose reductase | 1.1.1.21 | 0.477 | |
| 3u2c | SUZ | Aldose reductase | 1.1.1.21 | 0.476 | |
| 2fm0 | M98 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.475 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.475 | |
| 2iki | 388 | Aldose reductase | 1.1.1.21 | 0.473 | |
| 1eko | I84 | Aldose reductase | 1.1.1.21 | 0.472 | |
| 2vqq | TFG | Histone deacetylase 4 | 3.5.1.98 | 0.472 | |
| 3w5e | NVW | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.472 | |
| 3k4s | 0MO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.471 | |
| 1lnm | DTX | Bilin-binding protein | / | 0.470 | |
| 1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.470 | |
| 2pdw | FID | Aldose reductase | 1.1.1.21 | 0.470 | |
| 3o56 | ZG1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.470 | |
| 1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.469 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.469 | |
| 3bxo | UPP | dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucopyranose | / | 0.469 | |
| 2pd9 | FID | Aldose reductase | 1.1.1.21 | 0.467 | |
| 1pwm | FID | Aldose reductase | 1.1.1.21 | 0.466 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.466 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.466 | |
| 1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.466 | |
| 2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.466 | |
| 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 | 0.466 | |
| 3iak | EV1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.466 | |
| 4a33 | PS8 | Glycylpeptide N-tetradecanoyltransferase | / | 0.466 | |
| 1s36 | CEI | Obelin | / | 0.465 | |
| 3sl6 | JN8 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.465 | |
| 3tvx | PNX | cAMP-specific 3',5'-cyclic phosphodiesterase 4A | 3.1.4.53 | 0.465 | |
| 1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.464 | |
| 1ry8 | RUT | Aldo-keto reductase family 1 member C3 | / | 0.464 | |
| 1lke | DOG | Bilin-binding protein | / | 0.463 | |
| 2pdq | 47D | Aldose reductase | 1.1.1.21 | 0.463 | |
| 3g4l | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.463 | |
| 3len | ZST | Aldose reductase | 1.1.1.21 | 0.463 | |
| 3u57 | DH8 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.463 | |
| 4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.463 | |
| 4jpg | 1OX | Pyruvate kinase PKM | 2.7.1.40 | 0.463 | |
| 1frb | ZST | Aldose reductase-related protein 2 | / | 0.462 | |
| 2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.461 | |
| 3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.461 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.461 | |
| 4fcb | 0T7 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.461 | |
| 1rxj | BNI | Streptavidin | / | 0.460 | |
| 3m4h | 388 | Aldose reductase | 1.1.1.21 | 0.460 | |
| 3p2v | DOY | Aldose reductase | 1.1.1.21 | 0.460 | |
| 4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.460 | |
| 1xon | PIL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.459 | |
| 3af0 | GDP | Pantothenate kinase | 2.7.1.33 | 0.459 | |
| 3ghs | LDT | Aldose reductase | 1.1.1.21 | 0.459 | |
| 3o57 | ZG2 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.459 | |
| 4hhy | 15R | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.459 | |
| 1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.458 | |
| 2a58 | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.458 | |
| 2duz | ZST | Aldose reductase | 1.1.1.21 | 0.458 | |
| 2pdp | 393 | Aldose reductase | 1.1.1.21 | 0.458 | |
| 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 | 0.458 | |
| 3g58 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.458 | |
| 4drh | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.458 | |
| 4drh | RAP | Peptidyl-prolyl cis-trans isomerase FKBP5 | 5.2.1.8 | 0.458 | |
| 3p9t | TCL | Repressor | / | 0.457 | |
| 4b13 | X25 | Glycylpeptide N-tetradecanoyltransferase | / | 0.457 | |
| 1az2 | NAP | Aldose reductase | 1.1.1.21 | 0.456 | |
| 1us0 | LDT | Aldose reductase | 1.1.1.21 | 0.456 | |
| 1zkn | IBM | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.456 | |
| 3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.456 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.456 | |
| 4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.456 | |
| 4gab | FID | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.456 | |
| 1s07 | PLP | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.455 | |
| 3d3p | 20A | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.455 | |
| 3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.455 | |
| 3gn7 | 3GN | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.455 | |
| 1el3 | I84 | Aldose reductase | 1.1.1.21 | 0.454 | |
| 2pdg | 47D | Aldose reductase | 1.1.1.21 | 0.454 | |
| 4hhz | 15S | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.454 | |
| 2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.453 | |
| 2cbq | TH2 | Neocarzinostatin | / | 0.453 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.453 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.453 | |
| 1q23 | FUA | Chloramphenicol acetyltransferase | 2.3.1.28 | 0.452 | |
| 2ipi | AKY | Aclacinomycin-N/aclacinomycin-A oxidase | / | 0.452 | |
| 4ga8 | SBI | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.452 | |
| 1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.451 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.451 | |
| 3w0t | HPU | Lactoylglutathione lyase | 4.4.1.5 | 0.451 | |
| 2acq | NAP | Aldose reductase | 1.1.1.21 | 0.450 | |
| 2acu | NAP | Aldose reductase | 1.1.1.21 | 0.450 | |
| 2e9a | B28 | Ditrans,polycis-undecaprenyl-diphosphate synthase ((2E,6E)-farnesyl-diphosphate specific) | 2.5.1.31 | 0.450 | |
| 2iq0 | NAP | Aldose reductase | 1.1.1.21 | 0.450 | |
| 4hf4 | 15H | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.450 | |
| 4jq4 | IMN | Aldo-keto reductase family 1 member C2 | / | 0.450 | |
| 4jqa | ID8 | Aldo-keto reductase family 1 member C2 | / | 0.450 | |
| 5dsg | 0HK | Muscarinic acetylcholine receptor M4 | / | 0.450 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.449 | |
| 3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.449 | |
| 3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.449 | |
| 1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
| 1y2e | 5DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.448 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.448 | |
| 2aot | SAH | Histamine N-methyltransferase | 2.1.1.8 | 0.448 | |
| 2ovy | PFJ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.448 | |
| 3s3g | TLT | Aldose reductase | 1.1.1.21 | 0.448 | |
| 2aot | 2PM | Histamine N-methyltransferase | 2.1.1.8 | 0.447 | |
| 3c1o | NAP | Eugenol synthase | / | 0.447 | |
| 3g45 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.447 | |
| 3hxe | BD8 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.447 | |
| 3lql | LDT | Aldose reductase | 1.1.1.21 | 0.447 | |
| 3v94 | WYQ | Phosphodiesterase | / | 0.447 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.447 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.446 | |
| 1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.446 | |
| 2ikj | 393 | Aldose reductase | 1.1.1.21 | 0.446 | |
| 3g1r | FIT | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.446 | |
| 3lz5 | LDT | Aldose reductase | 1.1.1.21 | 0.446 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.446 | |
| 4bjb | P34 | Tankyrase-2 | 2.4.2.30 | 0.446 | |
| 1kyv | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.445 | |
| 2pdc | 393 | Aldose reductase | 1.1.1.21 | 0.445 | |
| 2qxw | LDT | Aldose reductase | 1.1.1.21 | 0.445 | |
| 3ele | PLP | Aminotransferase | / | 0.445 | |
| 4jtq | FLP | Aldo-keto reductase family 1 member C2 | / | 0.445 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 4x7y | SAH | Mycinamicin III 3''-O-methyltransferase | 2.1.1.237 | 0.445 | |
| 1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.444 | |
| 2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.444 | |
| 3ghr | LDT | Aldose reductase | 1.1.1.21 | 0.444 | |
| 3htj | ET | EbrA repressor | / | 0.444 | |
| 3jsx | CC2 | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
| 3szg | NXX | Glutamine-dependent NAD(+) synthetase | 6.3.5.1 | 0.444 | |
| 3wi2 | P98 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 4dz5 | NAP | Aldo-keto reductase family 1 member C3 | / | 0.444 | |
| 4kbn | 25U | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 1el4 | CTZ | Obelin | / | 0.443 | |
| 1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
| 2cl5 | BIE | Catechol O-methyltransferase | 2.1.1.6 | 0.443 | |
| 2pdn | 47D | Aldose reductase | 1.1.1.21 | 0.443 | |
| 3u5y | SCG | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.443 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.443 | |
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 1s1r | NAP | Aldo-keto reductase family 1 member C3 | / | 0.442 | |
| 2zs9 | ADP | Pantothenate kinase | 2.7.1.33 | 0.442 | |
| 3bv7 | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.442 | |
| 3cv7 | C2U | Alcohol dehydrogenase [NADP(+)] | 1.1.1.2 | 0.442 | |
| 3m64 | 393 | Aldose reductase | 1.1.1.21 | 0.442 | |
| 4lm4 | JPZ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 4u95 | MIY | Multidrug efflux pump subunit AcrB | / | 0.442 | |
| 1aqu | EST | Estrogen sulfotransferase, testis isoform | 2.8.2.4 | 0.441 | |
| 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 | 0.441 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
| 2bjs | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 2d06 | EST | Sulfotransferase 1A1 | 2.8.2.1 | 0.441 | |
| 2xuq | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 3cas | ASD | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.441 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.441 | |
| 4dbu | BT9 | Aldo-keto reductase family 1 member C3 | / | 0.441 | |
| 2fz8 | ZST | Aldose reductase | 1.1.1.21 | 0.440 | |
| 2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.440 | |
| 2oz5 | 7XY | Uncharacterized protein | / | 0.440 | |
| 2vz0 | D64 | Pteridine reductase | / | 0.440 | |
| 3b82 | NAD | Exotoxin A | 2.4.2.36 | 0.440 | |
| 3uzz | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.440 | |
| 4je5 | PLP | Aromatic/aminoadipate aminotransferase 1 | 2.6.1.39 | 0.440 |