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 |
|---|---|---|---|
| 1fm8 | DDC | Chalcone--flavonone isomerase 1 | 5.5.1.6 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1fm8 | DDC | Chalcone--flavonone isomerase 1 | 5.5.1.6 | 1.000 | |
| 1eyq | NAR | Chalcone--flavonone isomerase 1 | 5.5.1.6 | 0.594 | |
| 1fm7 | DFV | Chalcone--flavonone isomerase 1 | 5.5.1.6 | 0.564 | |
| 2xb5 | I7T | Tetracycline repressor protein class D | / | 0.475 | |
| 3cbs | R12 | Cellular retinoic acid-binding protein 2 | / | 0.462 | |
| 1kvt | UPG | UDP-glucose 4-epimerase | 5.1.3.2 | 0.461 | |
| 5fko | TDC | Tetracycline repressor protein class D | / | 0.461 | |
| 2yxu | ATP | Pyridoxal kinase | 2.7.1.35 | 0.460 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 1d7y | FAD | Ferredoxin reductase | / | 0.457 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
| 3koy | Z97 | D-ornithine 4,5-aminomutase subunit beta | / | 0.457 | |
| 1gjv | AGS | [3-methyl-2-oxobutanoate dehydrogenase [lipoamide]] kinase, mitochondrial | 2.7.11.4 | 0.456 | |
| 4geb | 0LD | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.455 | |
| 4ivg | ANP | TNF receptor-associated protein 1 | / | 0.455 | |
| 2y3r | TRK | TamL | / | 0.453 | |
| 1jip | KTN | 6-deoxyerythronolide B hydroxylase | / | 0.452 | |
| 2daa | DCS | D-alanine aminotransferase | 2.6.1.21 | 0.452 | |
| 2ykv | IK2 | Beta-transaminase | / | 0.451 | |
| 3spt | UD1 | Bifunctional protein GlmU | / | 0.450 | |
| 4aux | XTC | Tetracycline repressor protein class D | / | 0.450 | |
| 2bbq | PFG | Thymidylate synthase | / | 0.449 | |
| 4l9q | 9TP | Serum albumin | / | 0.449 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.447 | |
| 2vn0 | TDZ | Cytochrome P450 2C8 | / | 0.447 | |
| 2hw2 | RFP | Rifampin ADP-ribosyl transferase | / | 0.446 | |
| 2vpr | TDC | Tetracycline repressor protein class H | / | 0.445 | |
| 1nzd | UPG | DNA beta-glucosyltransferase | / | 0.444 | |
| 2y3s | TIR | TamL | / | 0.444 | |
| 2zsb | ADP | Pantothenate kinase | 2.7.1.33 | 0.444 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.444 | |
| 3af4 | GCP | Pantothenate kinase | 2.7.1.33 | 0.444 | |
| 3koz | Z97 | D-ornithine 4,5-aminomutase subunit beta | / | 0.444 | |
| 4xyb | NDP | Formate dehydrogenase | / | 0.444 | |
| 1t86 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.443 | |
| 3i59 | N6R | CRP-like cAMP-activated global transcriptional regulator | / | 0.443 | |
| 2trt | TAC | Tetracycline repressor protein class D | / | 0.442 | |
| 3dl9 | BCD | Vitamin D 25-hydroxylase | / | 0.442 | |
| 3fgo | CZA | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 3.6.3.8 | 0.442 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.442 | |
| 4g5q | GDP | Guanine nucleotide-binding protein G(i) subunit alpha-1 | / | 0.441 | |
| 4hms | FMN | Phenazine biosynthesis protein PhzG | 1.4 | 0.441 | |
| 2yvw | EPU | UDP-N-acetylglucosamine 1-carboxyvinyltransferase | / | 0.440 |