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 |
|---|---|---|---|
| 4c73 | TLH | 3-oxoacyl-ACP synthase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4c73 | TLH | 3-oxoacyl-ACP synthase | / | 1.000 | |
| 4c72 | TLG | 3-oxoacyl-ACP synthase | / | 0.827 | |
| 4c6z | TLE | 3-oxoacyl-ACP synthase | / | 0.739 | |
| 4c71 | 7RD | 3-oxoacyl-ACP synthase | / | 0.611 | |
| 3g0y | P9A | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.592 | |
| 2aq7 | TL5 | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.576 | |
| 2aqb | TL6 | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.562 | |
| 3g11 | P9C | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.558 | |
| 3i8p | 840 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.555 | |
| 2vb8 | TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.552 | |
| 2wgg | TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.543 | |
| 4f32 | N32 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | / | 0.542 | |
| 4c6u | TLG | 3-oxoacyl-ACP synthase | / | 0.535 | |
| 2gfx | PMN | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.534 | |
| 3hnz | PMN | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.532 | |
| 4jv3 | N32 | Beta-ketoacyl synthase | / | 0.521 | |
| 2wge | TLM | 3-oxoacyl-[acyl-carrier-protein] synthase 1 | 2.3.1.41 | 0.484 | |
| 3ho2 | N32 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | 2.3.1.179 | 0.474 | |
| 1fmj | RTL | Retinol dehydratase | / | 0.468 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.467 | |
| 1mue | CDD | Prothrombin | 3.4.21.5 | 0.464 | |
| 4ead | 0NP | Thymidine phosphorylase | 2.4.2.4 | 0.464 | |
| 3m30 | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.463 | |
| 3m30 | COM | Methyl-coenzyme M reductase I subunit beta | 2.8.4.1 | 0.463 | |
| 2pks | G44 | Prothrombin | 3.4.21.5 | 0.459 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.456 | |
| 5dp2 | NAP | CurF | / | 0.456 | |
| 3m2u | COM | Methyl-coenzyme M reductase I subunit alpha | 2.8.4.1 | 0.455 | |
| 4oe4 | NAD | Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial | 1.2.1.88 | 0.455 | |
| 4jbt | ASD | Cytochrome P450 monooxygenase | / | 0.454 | |
| 3ozd | 4CT | S-methyl-5'-thioadenosine phosphorylase | / | 0.453 | |
| 3g4g | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.452 | |
| 1cju | FOK | Adenylate cyclase type 2 | / | 0.451 | |
| 1cju | FOK | Adenylate cyclase type 5 | / | 0.451 | |
| 1o76 | CAM | Camphor 5-monooxygenase | 1.14.15.1 | 0.450 | |
| 1z71 | L17 | Prothrombin | 3.4.21.5 | 0.449 | |
| 3iqh | TYR_ASP_ILE | Cysteine synthase | 2.5.1.47 | 0.449 | |
| 4i9b | NAD | Putative betaine aldehyde dehyrogenase | / | 0.449 | |
| 1d6w | 00R | Prothrombin | 3.4.21.5 | 0.448 | |
| 1qoq | IGP | Tryptophan synthase alpha chain | / | 0.447 | |
| 2po7 | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.447 | |
| 4yx6 | FMN | Omega-3 polyunsaturated fatty acid synthase subunit PfaD | / | 0.447 | |
| 3ju8 | NAD | N-succinylglutamate 5-semialdehyde dehydrogenase | 1.2.1.71 | 0.446 | |
| 4j6b | PLO | Cytochrome P450 monooxygenase | / | 0.445 | |
| 4aux | XTC | Tetracycline repressor protein class D | / | 0.444 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.444 | |
| 4c77 | N01 | Phenylacetone monooxygenase | 1.14.13.92 | 0.444 | |
| 5irn | ADP | Nucleotide binding oligomerization domain containing 2 | / | 0.444 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.443 | |
| 1zgv | 501 | Prothrombin | 3.4.21.5 | 0.443 | |
| 2pk3 | A2R | GDP-6-deoxy-D-mannose reductase | / | 0.443 | |
| 2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.443 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.443 | |
| 4n3l | 2FN | Prothrombin | 3.4.21.5 | 0.443 | |
| 1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1qor | NDP | Quinone oxidoreductase 1 | / | 0.442 | |
| 2zhq | 27U | Prothrombin | 3.4.21.5 | 0.442 | |
| 2znp | K55 | Peroxisome proliferator-activated receptor delta | / | 0.442 | |
| 2cib | CM6 | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.441 | |
| 2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.441 | |
| 3iqi | ASN_GLU_ASN_ILE | Cysteine synthase | 2.5.1.47 | 0.441 | |
| 4juf | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.441 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.440 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.440 | |
| 3fhx | PXL | Pyridoxal kinase | 2.7.1.35 | 0.440 |