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 |
|---|---|---|---|
| 5pah | LDP | Phenylalanine-4-hydroxylase | 1.14.16.1 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 5pah | LDP | Phenylalanine-4-hydroxylase | 1.14.16.1 | 1.000 | |
| 4pah | LNR | Phenylalanine-4-hydroxylase | 1.14.16.1 | 0.875 | |
| 3pah | XDE | Phenylalanine-4-hydroxylase | 1.14.16.1 | 0.727 | |
| 1j8u | H4B | Phenylalanine-4-hydroxylase | 1.14.16.1 | 0.597 | |
| 1tg2 | H2B | Phenylalanine-4-hydroxylase | 1.14.16.1 | 0.570 | |
| 2toh | HBI | Tyrosine 3-monooxygenase | 1.14.16.2 | 0.569 | |
| 1lrm | HBI | Phenylalanine-4-hydroxylase | 1.14.16.1 | 0.546 | |
| 1dmw | HBI | Phenylalanine-4-hydroxylase | 1.14.16.1 | 0.480 | |
| 3up3 | XCA | aceDAF-12 | / | 0.475 | |
| 3up0 | D7S | aceDAF-12 | / | 0.468 | |
| 1y60 | H4M | 5,6,7,8-tetrahydromethanopterin hydro-lyase | 4.2.1.147 | 0.467 | |
| 1ad3 | NAD | Aldehyde dehydrogenase, dimeric NADP-preferring | / | 0.466 | |
| 3gwf | FAD | Cyclohexanone monooxygenase | / | 0.463 | |
| 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 | 0.462 | |
| 3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.461 | |
| 3gyu | DL7 | Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily | / | 0.459 | |
| 3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.452 | |
| 1zdw | FLV | Prenyltransferase | / | 0.449 | |
| 3vtb | TKA | Vitamin D3 receptor | / | 0.448 | |
| 4fcd | 0T6 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.447 | |
| 4xd1 | T3Q | Qdtf | / | 0.447 | |
| 5d7p | OCZ | NAD-dependent protein deacetylase sirtuin-2 | 3.5.1 | 0.446 | |
| 1uyd | PU8 | Heat shock protein HSP 90-alpha | / | 0.445 | |
| 3gxf | IFM | Glucosylceramidase | 3.2.1.45 | 0.445 | |
| 4fqs | LYA | Thymidylate synthase ThyA | / | 0.445 | |
| 4pnm | NU1 | Tankyrase-2 | 2.4.2.30 | 0.445 | |
| 2vn1 | FK5 | Peptidylprolyl isomerase | / | 0.444 | |
| 3bxx | QUE | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.444 | |
| 3gmd | 2M3 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.444 | |
| 3gyt | DL4 | Nuclear hormone receptor of the steroid/thyroid hormone receptors superfamily | / | 0.444 | |
| 3zu2 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.444 | |
| 4j6d | TES | Cytochrome P450 monooxygenase | / | 0.444 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 2uxo | TAC | HTH-type transcriptional regulator TtgR | / | 0.442 | |
| 2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.442 | |
| 4zas | TYD | CalS13 | / | 0.442 | |
| 2kce | D16 | Thymidylate synthase | / | 0.441 | |
| 2z3u | CRR | Cytochrome P450 | / | 0.441 | |
| 3g49 | 3G4 | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.441 | |
| 5bsr | COA | 4-coumarate--CoA ligase 2 | 6.2.1.12 | 0.441 | |
| 1mcz | TDP | Benzoylformate decarboxylase | 4.1.1.7 | 0.440 | |
| 4l8u | 9AZ | Serum albumin | / | 0.440 | |
| 5kf9 | ACO | Predicted acetyltransferase | / | 0.440 |