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 |
|---|---|---|---|
| 4ag9 | COA | Glucosamine 6-phosphate N-acetyltransferase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4ag9 | COA | Glucosamine 6-phosphate N-acetyltransferase | / | 1.000 | |
| 4ag7 | COA | Glucosamine 6-phosphate N-acetyltransferase | / | 0.576 | |
| 5kf9 | COA | Predicted acetyltransferase | / | 0.537 | |
| 1b87 | ACO | Aac(6')-Ii protein | / | 0.533 | |
| 4cs0 | ACO | PanD regulatory factor | / | 0.533 | |
| 1n71 | COA | Aac(6')-Ii protein | / | 0.531 | |
| 5kf9 | ACO | Predicted acetyltransferase | / | 0.531 | |
| 2jdc | CAO | Probable acetyltransferase | / | 0.530 | |
| 5kf2 | COA | Predicted acetyltransferase | / | 0.530 | |
| 3f0a | ACO | Spermidine N(1)-acetyltransferase | / | 0.527 | |
| 2jdd | ACO | Probable acetyltransferase | / | 0.509 | |
| 2a4n | COA | Aac(6')-Ii protein | / | 0.505 | |
| 2cy2 | ACO | Probable acetyltransferase | / | 0.503 | |
| 3tfy | COA | N-alpha-acetyltransferase 50 | 2.3.1 | 0.500 | |
| 4crz | ACO | PanD regulatory factor | / | 0.498 | |
| 2bsw | CAO | Probable acetyltransferase | / | 0.496 | |
| 5kf8 | ACO | Predicted acetyltransferase | / | 0.496 | |
| 4cry | ACO | PanD regulatory factor | / | 0.495 | |
| 3s6f | COA | Uncharacterized protein | / | 0.494 | |
| 5kf2 | ACO | Predicted acetyltransferase | / | 0.487 | |
| 5kgj | ACO | Predicted acetyltransferase | / | 0.484 | |
| 5kgp | ACO | Predicted acetyltransferase | / | 0.483 | |
| 4gs4 | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.482 | |
| 2wpw | ACO | Orf14 | / | 0.481 | |
| 1dli | UDX | UDP-glucose 6-dehydrogenase | / | 0.479 | |
| 4zm6 | ACO | N-acetyl-beta-D glucosaminidase | / | 0.479 | |
| 2o28 | COA | Glucosamine 6-phosphate N-acetyltransferase | / | 0.477 | |
| 2vez | ACO | Glucosamine 6-phosphate acetyltransferase, putative | / | 0.475 | |
| 4mxe | ACO | N-acetyltransferase ESCO1 | 2.3.1 | 0.475 | |
| 2vxk | COA | Glucosamine 6-phosphate acetyltransferase, putative | / | 0.474 | |
| 3up0 | D7S | aceDAF-12 | / | 0.474 | |
| 5kf1 | ACO | Predicted acetyltransferase | / | 0.469 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.468 | |
| 5kf1 | COA | Predicted acetyltransferase | / | 0.467 | |
| 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 | 0.466 | |
| 4h6z | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.466 | |
| 4b5o | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.465 | |
| 1y60 | H4M | 5,6,7,8-tetrahydromethanopterin hydro-lyase | 4.2.1.147 | 0.464 | |
| 2pda | TPP | Pyruvate synthase | / | 0.464 | |
| 3up3 | XCA | aceDAF-12 | / | 0.463 | |
| 2j2p | SC2 | Ficolin-2 | / | 0.462 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.462 | |
| 3njo | PYV | Abscisic acid receptor PYR1 | / | 0.461 | |
| 2qo6 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.458 | |
| 1g2v | TTP | Glucose-1-phosphate thymidylyltransferase | / | 0.457 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
| 4g2w | NI0 | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.457 | |
| 3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
| 4ztv | TA7 | Anthranilate phosphoribosyltransferase | / | 0.455 | |
| 2ges | COK | Pantothenate kinase | 2.7.1.33 | 0.454 | |
| 2jfz | 003 | Glutamate racemase | / | 0.454 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 3to3 | ATP | Petrobactin biosynthesis protein AsbB | / | 0.454 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.452 | |
| 1z6t | ADP | Apoptotic protease-activating factor 1 | / | 0.451 | |
| 3pah | XDE | Phenylalanine-4-hydroxylase | 1.14.16.1 | 0.451 | |
| 3zbs | OVE | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.451 | |
| 5kf8 | COA | Predicted acetyltransferase | / | 0.451 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.450 | |
| 4eqr | FAD | Coenzyme A disulfide reductase | / | 0.450 | |
| 2o1x | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.449 | |
| 1kzj | CB3 | Thymidylate synthase | / | 0.448 | |
| 4iaq | 2GM | 5-hydroxytryptamine receptor 1B | / | 0.448 | |
| 4yx6 | FMN | Omega-3 polyunsaturated fatty acid synthase subunit PfaD | / | 0.448 | |
| 5uvi | ZMA | Adenosine receptor A2a | / | 0.448 | |
| 1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 8cat | NDP | Catalase | 1.11.1.6 | 0.447 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.446 | |
| 1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.446 | |
| 2g0n | GDP | Ras-related C3 botulinum toxin substrate 3 | / | 0.446 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.445 | |
| 1wkl | ATP | Nucleoside diphosphate kinase | / | 0.444 | |
| 2qo4 | CHD | Fatty acid-binding protein 10-A, liver basic | / | 0.444 | |
| 3fzn | D7K | Benzoylformate decarboxylase | 4.1.1.7 | 0.444 | |
| 3tvq | DQH | Multifunctional cyclase-dehydratase-3-O-methyl transferase TcmN | 2.1.1 | 0.444 | |
| 4bbx | LKF | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.444 | |
| 4ge4 | 0KE | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.444 | |
| 1aj2 | 2PH | Dihydropteroate synthase | / | 0.443 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.443 | |
| 2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 3rv7 | RVB | Salicylate synthase | / | 0.443 | |
| 5k2b | ZMA | Adenosine receptor A2a | / | 0.443 | |
| 3eml | ZMA | Adenosine receptor A2a | / | 0.443 | |
| 1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 2b1z | 17M | Estrogen receptor | / | 0.442 | |
| 3c4a | FAD | Protodeoxyviolaceinate monooxygenase | 1 | 0.442 | |
| 3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 4fhd | 0TT | Spore photoproduct lyase | / | 0.442 | |
| 4fqs | LYA | Thymidylate synthase ThyA | / | 0.442 | |
| 4jqh | 1MF | Alr2278 protein | / | 0.442 | |
| 1odn | APV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 2cvz | NDP | 3-hydroxyisobutyrate dehydrogenase | / | 0.441 | |
| 2zpa | ACO | tRNA(Met) cytidine acetyltransferase TmcA | / | 0.441 | |
| 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 | 0.441 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.441 | |
| 2pr2 | DG1 | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.440 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.440 | |
| 3vwe | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.440 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 4ai8 | DZA | Hypoxia-inducible factor 1-alpha inhibitor | 1.14.11.30 | 0.440 | |
| 4jey | PLP | Acetylornithine/succinyldiaminopimelate aminotransferase | 2.6.1.11 | 0.440 | |
| 4x5f | FOL | Dihydrofolate reductase | 1.5.1.3 | 0.440 |