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 |
|---|---|---|---|
| 1ah3 | TOL | Aldose reductase | 1.1.1.21 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1ah3 | TOL | Aldose reductase | 1.1.1.21 | 1.000 | |
| 2pdl | TOL | Aldose reductase | 1.1.1.21 | 0.658 | |
| 2fzd | TOL | Aldose reductase | 1.1.1.21 | 0.650 | |
| 2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.611 | |
| 2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.590 | |
| 1zua | TOL | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.560 | |
| 2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.558 | |
| 4wev | SUZ | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.537 | |
| 5liu | 388 | Aldo-keto reductase family 1 member B10 | 1.1.1 | 0.514 | |
| 1s36 | CEI | Obelin | / | 0.496 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.493 | |
| 1ry8 | RUT | Aldo-keto reductase family 1 member C3 | / | 0.492 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.491 | |
| 4ky4 | 04J | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.490 | |
| 1z4i | UMP | 5'(3')-deoxyribonucleotidase, mitochondrial | 3.1.3 | 0.484 | |
| 2bjs | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.484 | |
| 4kp6 | 1S1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.484 | |
| 1xor | ZAR | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.483 | |
| 2fzj | DH3 | Dihydrofolate reductase | 1.5.1.3 | 0.482 | |
| 1ej3 | CZH | Aequorin-2 | / | 0.481 | |
| 4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.481 | |
| 3r94 | FLR | Aldo-keto reductase family 1 member C3 | / | 0.478 | |
| 1el4 | CTZ | Obelin | / | 0.477 | |
| 1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.477 | |
| 1t40 | ID5 | Aldose reductase | 1.1.1.21 | 0.476 | |
| 1uhh | CZP | Aequorin-2 | / | 0.475 | |
| 1qv0 | CZH | Obelin | / | 0.474 | |
| 4eil | FOL | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.474 | |
| 1y60 | H4M | 5,6,7,8-tetrahydromethanopterin hydro-lyase | 4.2.1.147 | 0.473 | |
| 2dux | ZST | Aldose reductase | 1.1.1.21 | 0.473 | |
| 4mqt | 2CU | Muscarinic acetylcholine receptor M2 | / | 0.473 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.471 | |
| 1y2c | 3DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.470 | |
| 3u57 | DH8 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.469 | |
| 1mlz | PLP | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.467 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.467 | |
| 2qjp | ANJ | Cytochrome b | / | 0.467 | |
| 4fal | 0T0 | Aldo-keto reductase family 1 member C3 | / | 0.467 | |
| 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 | 0.466 | |
| 1jf0 | CZH | Obelin | / | 0.466 | |
| 1s1r | NAP | Aldo-keto reductase family 1 member C3 | / | 0.466 | |
| 1y2k | 7DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.466 | |
| 3g45 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.466 | |
| 2i16 | LDT | Aldose reductase | 1.1.1.21 | 0.465 | |
| 3uzx | AOX | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.464 | |
| 4mvh | 2F5 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.464 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.463 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.463 | |
| 4dz5 | NAP | Aldo-keto reductase family 1 member C3 | / | 0.463 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.462 | |
| 2i17 | LDT | Aldose reductase | 1.1.1.21 | 0.462 | |
| 3r6i | JMS | Aldo-keto reductase family 1 member C3 | / | 0.462 | |
| 2iqd | LPA | Aldose reductase | 1.1.1.21 | 0.461 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.461 | |
| 2xuf | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
| 3ug8 | IMN | Aldo-keto reductase family 1 member C3 | / | 0.461 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.461 | |
| 3mb9 | ZST | Aldose reductase | 1.1.1.21 | 0.460 | |
| 3ugr | IMN | Aldo-keto reductase family 1 member C3 | / | 0.460 | |
| 3wav | DWV | Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 | 3.1.4.39 | 0.459 | |
| 4dbu | BT9 | Aldo-keto reductase family 1 member C3 | / | 0.459 | |
| 1jf2 | CZH | Obelin | / | 0.458 | |
| 1tbb | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.458 | |
| 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 | 0.458 | |
| 1w76 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.458 | |
| 2duz | ZST | Aldose reductase | 1.1.1.21 | 0.458 | |
| 2nvc | ITA | Aldose reductase | 1.1.1.21 | 0.458 | |
| 3htj | ET | EbrA repressor | / | 0.458 | |
| 3iak | EV1 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.458 | |
| 2pzn | 393 | Aldose reductase | 1.1.1.21 | 0.457 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 4mrx | CZH | Obelin | / | 0.457 | |
| 2pdj | 393 | Aldose reductase | 1.1.1.21 | 0.456 | |
| 3hxe | BD8 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.456 | |
| 4gca | 2X9 | Aldose reductase | 1.1.1.21 | 0.456 | |
| 1y2e | 5DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.455 | |
| 2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.455 | |
| 2ntj | P1H | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.455 | |
| 3t0k | DCQ | Sulfide-quinone reductase | / | 0.455 | |
| 1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.454 | |
| 1y2b | DEE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.454 | |
| 3m0i | ZST | Aldose reductase | 1.1.1.21 | 0.454 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
| 1z89 | 62P | Aldose reductase | 1.1.1.21 | 0.453 | |
| 3a1l | 2CC | Cytochrome P450 | / | 0.453 | |
| 4gtt | 7TQ | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.453 | |
| 1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.452 | |
| 1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.452 | |
| 2hv5 | ZST | Aldose reductase | 1.1.1.21 | 0.452 | |
| 3gnc | QQQ | Glutaryl-CoA dehydrogenase | / | 0.452 | |
| 4n1f | CZH | Obelin | / | 0.452 | |
| 4u95 | MIY | Multidrug efflux pump subunit AcrB | / | 0.452 | |
| 1gpn | HUB | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 1q9m | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.451 | |
| 1z3n | 3NA | Aldose reductase | 1.1.1.21 | 0.451 | |
| 2vrj | NCW | Beta-glucosidase A | 3.2.1.21 | 0.451 | |
| 2xui | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 3u5y | SCG | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.451 | |
| 4a16 | H34 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 3x04 | GNP | Phosphatidylinositol 5-phosphate 4-kinase type-2 beta | 2.7.1.149 | 0.450 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.450 | |
| 1y2d | 4DE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.449 | |
| 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 | 0.449 | |
| 3c72 | CX1 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.449 | |
| 3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.449 | |
| 4jpg | 1OX | Pyruvate kinase PKM | 2.7.1.40 | 0.449 | |
| 5cc9 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
| 1kyv | RBF | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.448 | |
| 1pq6 | 965 | Oxysterols receptor LXR-beta | / | 0.448 | |
| 1qti | GNT | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.448 | |
| 2xvw | 9NR | Serum albumin | / | 0.448 | |
| 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 | 0.448 | |
| 3g1r | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.448 | |
| 3len | ZST | Aldose reductase | 1.1.1.21 | 0.448 | |
| 4ey6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 4keb | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 2iki | 388 | Aldose reductase | 1.1.1.21 | 0.447 | |
| 2pdx | ZST | Aldose reductase | 1.1.1.21 | 0.447 | |
| 3bxo | UPP | dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucopyranose | / | 0.447 | |
| 3c49 | KU8 | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.447 | |
| 3sl8 | JN7 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 1zq5 | E04 | Aldo-keto reductase family 1 member C3 | / | 0.446 | |
| 2hvo | ZST | Aldose reductase | 1.1.1.21 | 0.446 | |
| 2tpr | FAD | Trypanothione reductase | 1.8.1.12 | 0.446 | |
| 3mc5 | 393 | Aldose reductase | 1.1.1.21 | 0.446 | |
| 3pz2 | 3PZ | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.446 | |
| 3sl6 | JN8 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 4aoa | IK2 | Beta-phenylalanine transaminase | 2.6.1 | 0.446 | |
| 4yu1 | 53N | Aldose reductase | 1.1.1.21 | 0.446 | |
| 1sl9 | CZH | Obelin | / | 0.445 | |
| 3hxc | BD6 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.445 | |
| 3nn6 | HNK | 6-hydroxy-L-nicotine oxidase | / | 0.445 | |
| 3p5s | AVU | CD38 molecule | / | 0.445 | |
| 3r43 | ID8 | Aldo-keto reductase family 1 member C3 | / | 0.445 | |
| 4fa3 | 0SL | Aldo-keto reductase family 1 member C3 | / | 0.445 | |
| 1s07 | PLP | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.444 | |
| 2fs4 | PZ1 | Renin | 3.4.23.15 | 0.444 | |
| 2hxz | H7J | Cathepsin S | 3.4.22.27 | 0.444 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 3b9o | FMN | Alkane monoxygenase | / | 0.444 | |
| 3qpp | PFW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 4h7c | 10H | Aldo-keto reductase family 1 member C3 | / | 0.444 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 2d06 | EST | Sulfotransferase 1A1 | 2.8.2.1 | 0.443 | |
| 2vz0 | D64 | Pteridine reductase | / | 0.443 | |
| 2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.443 | |
| 3g5e | Q74 | Aldose reductase | 1.1.1.21 | 0.443 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.443 | |
| 2b04 | CHO | Phospholipase A2, major isoenzyme | 3.1.1.4 | 0.442 | |
| 2fm0 | M98 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.442 | |
| 2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 3ce0 | P34 | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.442 | |
| 4lm4 | JPZ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 1odn | APV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 1pwl | BFI | Aldose reductase | 1.1.1.21 | 0.441 | |
| 1qxl | FR8 | Adenosine deaminase | 3.5.4.4 | 0.441 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.441 | |
| 3pz3 | PZ3 | Geranylgeranyl transferase type-2 subunit beta | 2.5.1.60 | 0.441 | |
| 3w5e | NVW | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.441 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.441 | |
| 3qak | UKA | Adenosine receptor A2a | / | 0.441 | |
| 1ro9 | 8BR | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.440 | |
| 1t41 | ID5 | Aldose reductase | 1.1.1.21 | 0.440 | |
| 2inz | OHP | Aldose reductase | 1.1.1.21 | 0.440 | |
| 2q15 | 3MR | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 3bur | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.440 | |
| 3lbo | LDT | Aldose reductase | 1.1.1.21 | 0.440 | |
| 3ld5 | LDT | Aldose reductase | 1.1.1.21 | 0.440 | |
| 4bfu | ZVU | Pantothenate kinase | 2.7.1.33 | 0.440 | |
| 4boe | CLR | Japanin | / | 0.440 |