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 |
|---|---|---|---|
| 1sm4 | FAD | Ferredoxin--NADP reductase |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 1sm4 | FAD | Ferredoxin--NADP reductase | / | 1.000 | |
| 4af7 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.654 | |
| 3vo2 | FAD | Ferredoxin--NADP reductase | / | 0.636 | |
| 3zc3 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.626 | |
| 1fnb | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.622 | |
| 1bx1 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.618 | |
| 1gaq | FAD | Ferredoxin | / | 0.613 | |
| 1gaw | FAD | Ferredoxin | / | 0.613 | |
| 4af6 | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.609 | |
| 1gjr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.608 | |
| 1h42 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.596 | |
| 1bjk | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.594 | |
| 2b5o | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.594 | |
| 1e64 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.591 | |
| 3w5u | FAD | Ferredoxin | / | 0.591 | |
| 1go2 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.590 | |
| 3zbt | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.590 | |
| 1w35 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.589 | |
| 1qgy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.586 | |
| 3mhp | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.583 | |
| 1fnc | FDA | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.581 | |
| 2rc6 | FAD | Ferredoxin--NADP reductase | / | 0.575 | |
| 1qh0 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.572 | |
| 1w87 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.571 | |
| 4bpr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.567 | |
| 1h85 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.566 | |
| 3fpk | FAD | Ferredoxin-NADP reductase | / | 0.561 | |
| 1que | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.560 | |
| 4c43 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.558 | |
| 1e62 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.550 | |
| 1ewy | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.547 | |
| 2ok8 | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.545 | |
| 1ogi | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.540 | |
| 1fnd | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.538 | |
| 1e63 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.537 | |
| 1b2r | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.528 | |
| 3qfs | FAD | NADPH--cytochrome P450 reductase | / | 0.524 | |
| 1amo | FAD | NADPH--cytochrome P450 reductase | / | 0.523 | |
| 1ogj | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.523 | |
| 1bx0 | FAD | Ferredoxin--NADP reductase, chloroplastic | 1.18.1.2 | 0.522 | |
| 3qft | FAD | NADPH--cytochrome P450 reductase | / | 0.518 | |
| 1gr1 | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.517 | |
| 1ja1 | FAD | NADPH--cytochrome P450 reductase | / | 0.512 | |
| 2rc5 | FAD | Ferredoxin--NADP reductase | / | 0.512 | |
| 1qgz | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.510 | |
| 4yao | FAD | NADPH--cytochrome P450 reductase | / | 0.509 | |
| 3jqr | FAD | Ferredoxin--NADP reductase, apicoplast | / | 0.500 | |
| 2r6h | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.499 | |
| 4uaj | FAD | Na(+)-translocating NADH-quinone reductase subunit F | / | 0.499 | |
| 4a32 | 2CD | Glycylpeptide N-tetradecanoyltransferase | / | 0.494 | |
| 2xnc | FAD | Ferredoxin--NADP reductase, leaf isozyme, chloroplastic | 1.18.1.2 | 0.493 | |
| 1j9z | FAD | NADPH--cytochrome P450 reductase | / | 0.490 | |
| 5a4v | QUE | Glutathione S-transferase F2 | 2.5.1.18 | 0.482 | |
| 1cqx | FAD | Flavohemoprotein | / | 0.479 | |
| 1tll | FAD | Nitric oxide synthase, brain | 1.14.13.39 | 0.475 | |
| 2ivn | ANP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.470 | |
| 3otw | COA | Phosphopantetheine adenylyltransferase | / | 0.470 | |
| 3qfc | FAD | NADPH--cytochrome P450 reductase | / | 0.469 | |
| 2bpo | FAD | NADPH--cytochrome P450 reductase | / | 0.468 | |
| 2zev | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.468 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.466 | |
| 1r5h | AO2 | Methionine aminopeptidase 2 | / | 0.465 | |
| 5ah5 | LSS | Leucine--tRNA ligase | / | 0.464 | |
| 1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.460 | |
| 5a4w | QCT | Glutathione S-transferase F2 | 2.5.1.18 | 0.460 | |
| 2uag | UMA | UDP-N-acetylmuramoylalanine--D-glutamate ligase | 6.3.2.9 | 0.458 | |
| 3pm1 | ET | HTH-type transcriptional regulator QacR | / | 0.458 | |
| 4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.456 | |
| 3wqm | B29 | Diterpene synthase | 3.1.7.8 | 0.455 | |
| 1krh | FAD | Benzoate 1,2-dioxygenase electron transfer component | 1.18.1.3 | 0.454 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.454 | |
| 2jf6 | S55 | Strictosidine-O-beta-D-glucosidase | 3.2.1.105 | 0.453 | |
| 3aez | GDP | Pantothenate kinase | 2.7.1.33 | 0.453 | |
| 1fdr | FAD | Ferredoxin--NADP reductase | 1.18.1.2 | 0.452 | |
| 5c6c | CMP | cGMP-dependent protein kinase 2 | 2.7.11.12 | 0.452 | |
| 2y6f | M9F | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 2bu9 | HFV | Isopenicillin N synthase | 1.21.3.1 | 0.450 | |
| 3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.450 | |
| 3hmv | HBT | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.449 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.448 | |
| 1ni4 | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.448 | |
| 2wp9 | CBE | Succinate dehydrogenase iron-sulfur subunit | 1.3.5.1 | 0.448 | |
| 2wp9 | CBE | Succinate dehydrogenase cytochrome b556 subunit | / | 0.448 | |
| 4c2z | 646 | Glycylpeptide N-tetradecanoyltransferase 1 | / | 0.448 | |
| 1ndz | FR5 | Adenosine deaminase | 3.5.4.4 | 0.447 | |
| 1xoq | ROF | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.447 | |
| 2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.447 | |
| 3d3p | 20A | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.447 | |
| 3opx | U5P | Suppressor of disruption of TFIIS | / | 0.447 | |
| 4b14 | 4XB | Glycylpeptide N-tetradecanoyltransferase | / | 0.447 | |
| 4o9c | COA | Acetyl-CoA acetyltransferase | 2.3.1.9 | 0.447 | |
| 1qzy | TDE | Methionine aminopeptidase 2 | / | 0.446 | |
| 2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.446 | |
| 2ivp | ATP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.446 | |
| 3gus | N11 | Glutathione S-transferase P | 2.5.1.18 | 0.446 | |
| 3jyo | NAD | Quinate/shikimate dehydrogenase (NAD(+)) | / | 0.446 | |
| 3zj7 | C1K | Strictosidine-O-beta-D-glucosidase | 3.2.1.105 | 0.446 | |
| 4b63 | FAD | L-ornithine N(5)-monooxygenase | / | 0.446 | |
| 1udt | VIA | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.445 | |
| 2e7r | SAH | Diphthine synthase | / | 0.445 | |
| 2get | COK | Pantothenate kinase | 2.7.1.33 | 0.445 | |
| 2hxz | H7J | Cathepsin S | 3.4.22.27 | 0.445 | |
| 3l9m | L9M | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.445 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 1q0z | AKA | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.444 | |
| 4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.444 | |
| 4h1e | 10J | Beta-secretase 1 | 3.4.23.46 | 0.444 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.444 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.443 | |
| 1til | ATP | Anti-sigma F factor | / | 0.443 | |
| 1uho | VDN | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.443 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.443 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
| 4mpr | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.443 | |
| 1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 1ptj | NAP | NAD(P) transhydrogenase subunit beta | 1.6.1.2 | 0.442 | |
| 1qoq | IGP | Tryptophan synthase alpha chain | / | 0.442 | |
| 2cmf | F11 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
| 2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
| 4mv1 | ADP | Biotin carboxylase | 6.3.4.14 | 0.442 | |
| 4nbh | 9CA | Terminal oxygenase component of carbazole | / | 0.442 | |
| 1u8v | FAD | 4-hydroxybutyryl-CoA dehydratase/vinylacetyl-CoA-Delta-isomerase | / | 0.441 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.441 | |
| 3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
| 4wuo | NAD | 3-isopropylmalate dehydrogenase | 1.1.1.85 | 0.441 | |
| 2dsh | SAH | Diphthine synthase | / | 0.440 | |
| 2eeq | SAH | Diphthine synthase | / | 0.440 | |
| 2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.440 | |
| 3exf | TPP | Pyruvate dehydrogenase E1 component subunit alpha, somatic form, mitochondrial | 1.2.4.1 | 0.440 | |
| 3exf | TPP | Pyruvate dehydrogenase E1 component subunit beta, mitochondrial | 1.2.4.1 | 0.440 | |
| 3p0f | BAU | Uridine phosphorylase 2 | 2.4.2.3 | 0.440 | |
| 4c0b | ATP | mRNA cleavage and polyadenylation factor CLP1 | / | 0.440 |