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 |
|---|---|---|---|
| 1id0 | ANP | Sensor protein PhoQ | 2.7.13.3 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1id0 | ANP | Sensor protein PhoQ | 2.7.13.3 | 1.000 | |
| 4bix | ADP | Sensor histidine kinase CpxA | / | 0.486 | |
| 2o1x | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.481 | |
| 2ix5 | FAD | Acyl-coenzyme A oxidase 4, peroxisomal | 1.3.3.6 | 0.471 | |
| 2c2a | ADP | Sensor histidine kinase | / | 0.470 | |
| 4e03 | ADP | Plasmid partitioning protein ParF | / | 0.470 | |
| 4yek | THM | Thymidine phosphorylase | / | 0.470 | |
| 1i58 | ACP | Chemotaxis protein CheA | 2.7.13.3 | 0.467 | |
| 4nmd | FDA | Bifunctional protein PutA | / | 0.467 | |
| 4cav | MYA | Glycylpeptide N-tetradecanoyltransferase | 2.3.1.97 | 0.466 | |
| 1bvr | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.465 | |
| 2hma | SAM | tRNA-specific 2-thiouridylase MnmA | / | 0.465 | |
| 3f63 | GTX | Glutathione transferase GST1-4 | / | 0.464 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.464 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.463 | |
| 2rhr | EMO | Putative ketoacyl reductase | 1.3.1 | 0.461 | |
| 1i59 | ANP | Chemotaxis protein CheA | 2.7.13.3 | 0.459 | |
| 4cvm | ANP | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | / | 0.459 | |
| 2pg0 | FAD | Acyl-CoA dehydrogenase | / | 0.458 | |
| 4u9y | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.458 | |
| 2hdh | NAD | Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial | 1.1.1.35 | 0.457 | |
| 3vwe | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.456 | |
| 1ay0 | TPP | Transketolase 1 | 2.2.1.1 | 0.454 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.454 | |
| 4cax | MYA | Glycylpeptide N-tetradecanoyltransferase | 2.3.1.97 | 0.454 | |
| 4hyv | PEP | Pyruvate kinase 1 | 2.7.1.40 | 0.454 | |
| 1ur5 | NAD | Malate dehydrogenase | / | 0.453 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.453 | |
| 1vi2 | NAD | Quinate/shikimate dehydrogenase | / | 0.452 | |
| 4cjx | 9L9 | C-1-tetrahydrofolate synthase, cytoplasmic, putative | / | 0.452 | |
| 1i59 | ADP | Chemotaxis protein CheA | 2.7.13.3 | 0.451 | |
| 2pui | ADP | Methylthioribose kinase | 2.7.1.100 | 0.450 | |
| 2trt | TAC | Tetracycline repressor protein class D | / | 0.449 | |
| 2xpw | OTC | Tetracycline repressor protein class D | / | 0.448 | |
| 3p8j | FMN | Pentaerythritol tetranitrate reductase | / | 0.448 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.448 | |
| 2chx | 090 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2.7.1.153 | 0.447 | |
| 4l8u | 9AZ | Serum albumin | / | 0.445 | |
| 5ab7 | MLC | Nonspecific lipid-transfer protein, putative | / | 0.445 | |
| 1ej2 | NAD | Nicotinamide-nucleotide adenylyltransferase | 2.7.7.1 | 0.444 | |
| 2bu2 | ATP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.444 | |
| 3juo | AJD | Phenazine biosynthesis protein A/B | / | 0.444 | |
| 3zkp | ERB | Erythromycin C-12 hydroxylase | 1.14.13.154 | 0.444 | |
| 5il2 | SAH | N6-adenosine-methyltransferase 70 kDa subunit | / | 0.444 | |
| 3crl | ANP | [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial | 2.7.11.2 | 0.443 | |
| 3m9v | TYD | FAD-dependent oxidoreductase | / | 0.443 | |
| 3v0p | 4GW | Histo-blood group ABO system transferase | / | 0.443 | |
| 4k36 | SAM | Anaerobic sulfatase-maturating enzyme | 1.8.98 | 0.443 | |
| 1o9b | NAI | Quinate/shikimate dehydrogenase | / | 0.442 | |
| 2p9c | NAI | D-3-phosphoglycerate dehydrogenase | 1.1.1.95 | 0.442 | |
| 1g93 | UPG | N-acetyllactosaminide alpha-1,3-galactosyltransferase | / | 0.441 | |
| 2b4r | AES | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.441 | |
| 2r5n | TPP | Transketolase 1 | / | 0.441 | |
| 2r8p | T6F | Transketolase 1 | / | 0.441 | |
| 3gon | ANP | Phosphomevalonate kinase | / | 0.441 | |
| 3rlq | 3RQ | Heat shock protein HSP 90-alpha | / | 0.441 | |
| 4fxf | ATP | Pyruvate kinase PKM | 2.7.1.40 | 0.441 | |
| 5iw5 | NMN | NADH pyrophosphatase | / | 0.441 | |
| 1nhh | ANP | DNA mismatch repair protein MutL | / | 0.440 | |
| 1u1c | BAU | Uridine phosphorylase | 2.4.2.3 | 0.440 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.440 | |
| 2ok7 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.440 | |
| 2x9d | ITC | Tetracycline repressor protein class D | / | 0.440 | |
| 3dhe | AND | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.440 | |
| 3qaa | G04 | Gag-Pol polyprotein | 3.4.23.16 | 0.440 | |
| 4gdy | 0X1 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.440 | |
| 4pl9 | ADP | Ethylene receptor 1 | / | 0.440 | |
| 5ccy | TMP | Polymerase acidic protein | / | 0.440 | |
| 5hwo | HMG | Hydroxymethylglutaryl-CoA synthase | / | 0.440 |