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 |
|---|---|---|---|
| 4jq2 | SUZ | Aldo-keto reductase family 1 member C2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4jq2 | SUZ | Aldo-keto reductase family 1 member C2 | / | 1.000 | |
| 4jtr | IBP | Aldo-keto reductase family 1 member C2 | / | 0.662 | |
| 1ihi | IU5 | Aldo-keto reductase family 1 member C2 | / | 0.610 | |
| 4jtr | IZP | Aldo-keto reductase family 1 member C2 | / | 0.610 | |
| 4jtq | FLP | Aldo-keto reductase family 1 member C2 | / | 0.597 | |
| 4jq3 | ZOM | Aldo-keto reductase family 1 member C2 | / | 0.592 | |
| 4l1x | NAP | Aldo-keto reductase family 1 member C2 | / | 0.590 | |
| 4xo7 | ASD | Aldo-keto reductase family 1 member C2 | / | 0.587 | |
| 4jq1 | NPS | Aldo-keto reductase family 1 member C2 | / | 0.586 | |
| 4l1x | STR | Aldo-keto reductase family 1 member C2 | / | 0.585 | |
| 1mrq | STR | Aldo-keto reductase family 1 member C1 | / | 0.583 | |
| 2ipj | FFA | Aldo-keto reductase family 1 member C2 | / | 0.572 | |
| 4jqa | ID8 | Aldo-keto reductase family 1 member C2 | / | 0.554 | |
| 4jq3 | NAP | Aldo-keto reductase family 1 member C2 | / | 0.544 | |
| 2hdj | NDP | Aldo-keto reductase family 1 member C2 | / | 0.531 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.503 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.487 | |
| 2q7o | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.482 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.477 | |
| 4m6l | 21V | Dihydrofolate reductase | 1.5.1.3 | 0.476 | |
| 4n1g | CEI | Obelin | / | 0.476 | |
| 3l3r | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.471 | |
| 2hxz | H7J | Cathepsin S | 3.4.22.27 | 0.470 | |
| 4p9d | TMP | Deoxycytidylate deaminase | / | 0.470 | |
| 1qyx | ASD | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.468 | |
| 1kms | LIH | Dihydrofolate reductase | 1.5.1.3 | 0.467 | |
| 4ajm | 3A6 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.467 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.467 | |
| 2oci | TYC | Valacyclovir hydrolase | 3.1 | 0.465 | |
| 2our | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.465 | |
| 3faz | NOS | Purine nucleoside phosphorylase | / | 0.465 | |
| 3itu | IBM | cGMP-dependent 3',5'-cyclic phosphodiesterase | 3.1.4.17 | 0.463 | |
| 4u95 | MIY | Multidrug efflux pump subunit AcrB | / | 0.461 | |
| 2fjm | 073 | Tyrosine-protein phosphatase non-receptor type 1 | 3.1.3.48 | 0.460 | |
| 1n0u | SO1 | Elongation factor 2 | / | 0.459 | |
| 1so2 | 666 | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.458 | |
| 1toi | HCI | Aspartate aminotransferase | 2.6.1.1 | 0.455 | |
| 1zq5 | E04 | Aldo-keto reductase family 1 member C3 | / | 0.455 | |
| 3ghv | GHC | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
| 4ia0 | 5BB | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.455 | |
| 1mlz | PLP | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.454 | |
| 2a9z | 26A | Adenosine kinase | 2.7.1.20 | 0.453 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.452 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.451 | |
| 1n5v | NOM | ActVA 6 protein | / | 0.450 | |
| 3dr7 | GPD | GDP-perosamine synthase | / | 0.450 | |
| 3ntz | 3TZ | Dihydrofolate reductase | 1.5.1.3 | 0.450 | |
| 4ajd | F04 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.450 | |
| 3exh | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.449 | |
| 3exh | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.449 | |
| 3d80 | Q22 | Dihydrofolate reductase | 1.5.1.3 | 0.448 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.448 | |
| 2r8o | T5X | Transketolase 1 | / | 0.446 | |
| 3b8x | G4M | Putative pyridoxamine 5-phosphate-dependent dehydrase | / | 0.446 | |
| 3dyn | PCG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.446 | |
| 1hfr | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 1ohk | COP | Dihydrofolate reductase | 1.5.1.3 | 0.445 | |
| 3cav | CI2 | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.445 | |
| 3cot | STR | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.445 | |
| 4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.445 | |
| 1rzu | ADP | Glycogen synthase 1 | 2.4.1.21 | 0.444 | |
| 3nu0 | 3TU | Dihydrofolate reductase | 1.5.1.3 | 0.444 | |
| 4cth | RDF | Neprilysin | / | 0.444 | |
| 1mmv | H4B | Nitric oxide synthase, brain | 1.14.13.39 | 0.443 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.443 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.443 | |
| 2xi4 | AFT | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 3dys | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.443 | |
| 4h7c | 10H | Aldo-keto reductase family 1 member C3 | / | 0.443 | |
| 2bjs | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 2w3m | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.442 | |
| 4lm4 | JPZ | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.442 | |
| 4zwp | M44 | Xaa-Pro dipeptidase | 3.4.13.9 | 0.442 | |
| 5std | UNN | Scytalone dehydratase | 4.2.1.94 | 0.442 | |
| 1fds | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.441 | |
| 1s36 | CEI | Obelin | / | 0.441 | |
| 2dv0 | ZST | Aldose reductase | 1.1.1.21 | 0.441 | |
| 3c1o | NAP | Eugenol synthase | / | 0.441 | |
| 3mjr | AC2 | Deoxycytidine kinase | 2.7.1.74 | 0.441 | |
| 4mt9 | 2D6 | Tankyrase-1 | 2.4.2.30 | 0.441 | |
| 1kmv | LII | Dihydrofolate reductase | 1.5.1.3 | 0.440 | |
| 1mcz | RMN | Benzoylformate decarboxylase | 4.1.1.7 | 0.440 | |
| 1u2r | SO1 | Elongation factor 2 | / | 0.440 | |
| 1x8l | OXR | Retinol dehydratase | / | 0.440 | |
| 3g5s | FAD | Methylenetetrahydrofolate--tRNA-(uracil-5-)-methyltransferase TrmFO | / | 0.440 | |
| 3r6i | JMS | Aldo-keto reductase family 1 member C3 | / | 0.440 |