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 |
|---|---|---|---|
| 4jtr | IBP | Aldo-keto reductase family 1 member C2 |
| PDB ID | HET | Uniprot Name | EC Number | Cavity Similarity |
Align |
|---|---|---|---|---|---|
| 4jtr | IBP | Aldo-keto reductase family 1 member C2 | / | 1.000 | |
| 1ihi | IU5 | Aldo-keto reductase family 1 member C2 | / | 0.654 | |
| 4jq2 | SUZ | Aldo-keto reductase family 1 member C2 | / | 0.631 | |
| 4jtr | IZP | Aldo-keto reductase family 1 member C2 | / | 0.624 | |
| 4jtq | FLP | Aldo-keto reductase family 1 member C2 | / | 0.612 | |
| 4jq3 | ZOM | Aldo-keto reductase family 1 member C2 | / | 0.607 | |
| 4xo7 | ASD | Aldo-keto reductase family 1 member C2 | / | 0.599 | |
| 1mrq | STR | Aldo-keto reductase family 1 member C1 | / | 0.591 | |
| 4jq1 | NPS | Aldo-keto reductase family 1 member C2 | / | 0.577 | |
| 4l1x | STR | Aldo-keto reductase family 1 member C2 | / | 0.570 | |
| 4jqa | ID8 | Aldo-keto reductase family 1 member C2 | / | 0.567 | |
| 2ipj | FFA | Aldo-keto reductase family 1 member C2 | / | 0.562 | |
| 2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.542 | |
| 4p9d | TMP | Deoxycytidylate deaminase | / | 0.500 | |
| 3bxo | UPP | dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucopyranose | / | 0.489 | |
| 3tqx | PLP | 2-amino-3-ketobutyrate coenzyme A ligase | / | 0.484 | |
| 4dbs | 0HV | Aldo-keto reductase family 1 member C3 | / | 0.482 | |
| 2our | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.474 | |
| 3tfu | PL8 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.472 | |
| 1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.471 | |
| 1pqc | 444 | Oxysterols receptor LXR-beta | / | 0.470 | |
| 3mjr | AC2 | Deoxycytidine kinase | 2.7.1.74 | 0.469 | |
| 3b8x | G4M | Putative pyridoxamine 5-phosphate-dependent dehydrase | / | 0.468 | |
| 3c1o | NAP | Eugenol synthase | / | 0.468 | |
| 4jyz | ATP | Glutamine--tRNA ligase | 6.1.1.18 | 0.467 | |
| 2a57 | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.466 | |
| 2q7o | IMH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.466 | |
| 4jq4 | IMN | Aldo-keto reductase family 1 member C2 | / | 0.466 | |
| 2jl1 | NAP | Triphenylmethane reductase | / | 0.464 | |
| 3k3e | PDB | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.464 | |
| 2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.463 | |
| 4a95 | 9MT | Glycylpeptide N-tetradecanoyltransferase | / | 0.462 | |
| 1q84 | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.461 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.461 | |
| 3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.459 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.459 | |
| 4zj8 | SUV | Orexin receptor type 1 | / | 0.459 | |
| 1pax | DHQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.458 | |
| 4k9o | TPP | Benzoylformate decarboxylase | 4.1.1.7 | 0.458 | |
| 2whq | HI6 | Acetylcholinesterase | 3.1.1.7 | 0.457 | |
| 3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.457 | |
| 4ajm | 3A6 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.457 | |
| 1a26 | CNA | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.456 | |
| 1ry8 | RUT | Aldo-keto reductase family 1 member C3 | / | 0.455 | |
| 3zv7 | NHG | Acetylcholinesterase | 3.1.1.7 | 0.455 | |
| 4hmn | 16J | Aldo-keto reductase family 1 member C3 | / | 0.455 | |
| 1lke | DOG | Bilin-binding protein | / | 0.454 | |
| 2ha6 | SCK | Acetylcholinesterase | 3.1.1.7 | 0.454 | |
| 4epl | JAI | Jasmonic acid-amido synthetase JAR1 | 6.3.2 | 0.454 | |
| 1fml | RTL | Retinol dehydratase | / | 0.453 | |
| 2qim | ZEA | Class 10 plant pathogenesis-related protein | / | 0.453 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.453 | |
| 4wda | 2AM | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.453 | |
| 2c9z | QUE | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.452 | |
| 3zec | ANP | Adenosine monophosphate-protein transferase SoFic | 2.7.7.n1 | 0.452 | |
| 1eve | E20 | Acetylcholinesterase | 3.1.1.7 | 0.451 | |
| 3faz | NOS | Purine nucleoside phosphorylase | / | 0.451 | |
| 3gn7 | 3GN | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.451 | |
| 3zku | HCV | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
| 1so2 | 666 | cGMP-inhibited 3',5'-cyclic phosphodiesterase B | 3.1.4.17 | 0.450 | |
| 2r5n | TPP | Transketolase 1 | / | 0.450 | |
| 3eks | CY9 | Actin-5C | / | 0.450 | |
| 4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.450 | |
| 4iar | ERM | 5-hydroxytryptamine receptor 1B | / | 0.450 | |
| 4kby | C2E | Stimulator of interferon genes protein | / | 0.450 | |
| 1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.449 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial | 1.2.4.4 | 0.449 | |
| 2j9f | THV | 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial | 1.2.4.4 | 0.449 | |
| 2r0p | K2C | Putative FAD-monooxygenase | / | 0.449 | |
| 3ce0 | P34 | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.449 | |
| 4bqz | GNP | Ectonucleoside triphosphate diphosphohydrolase 2 | / | 0.449 | |
| 4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.449 | |
| 4j7g | TRH | PCZA361.3 | / | 0.449 | |
| 4zwp | M44 | Xaa-Pro dipeptidase | 3.4.13.9 | 0.449 | |
| 1dx6 | GNT | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.448 | |
| 1mlz | PLP | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.448 | |
| 2g25 | TDK | Pyruvate dehydrogenase E1 component | 1.2.4.1 | 0.448 | |
| 2w6c | BM4 | Acetylcholinesterase | 3.1.1.7 | 0.448 | |
| 3cav | CI2 | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.448 | |
| 3cot | STR | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.448 | |
| 3duf | R1T | Pyruvate dehydrogenase E1 component subunit alpha | 1.2.4.1 | 0.447 | |
| 3duf | R1T | Pyruvate dehydrogenase E1 component subunit beta | 1.2.4.1 | 0.447 | |
| 3gjw | GJW | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.447 | |
| 3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.447 | |
| 1q83 | TZ5 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 2fm5 | M99 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.446 | |
| 2xuo | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.446 | |
| 4drh | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.446 | |
| 4drh | RAP | Peptidyl-prolyl cis-trans isomerase FKBP5 | 5.2.1.8 | 0.446 | |
| 4n1g | CEI | Obelin | / | 0.446 | |
| 4rtb | SAM | Putative thiazole biosynthesis protein ThiH | / | 0.446 | |
| 2cek | N8T | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
| 2r8p | T6F | Transketolase 1 | / | 0.445 | |
| 2xlp | FAD | Putative flavin-containing monooxygenase | / | 0.445 | |
| 3eu5 | GBO | Protein farnesyltransferase subunit beta | 2.5.1.58 | 0.445 | |
| 3h3r | 14H | Collagen type IV alpha-3-binding protein | / | 0.445 | |
| 1h22 | E10 | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
| 1nbi | SAM | Glycine N-methyltransferase | 2.1.1.20 | 0.444 | |
| 2xvw | 9NR | Serum albumin | / | 0.444 | |
| 3dy8 | IBM | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.444 | |
| 3uzz | ASD | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.444 | |
| 4g2j | 0WF | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.444 | |
| 4h7c | 10H | Aldo-keto reductase family 1 member C3 | / | 0.444 | |
| 1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.443 | |
| 1zq5 | E04 | Aldo-keto reductase family 1 member C3 | / | 0.443 | |
| 2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.443 | |
| 3hf8 | ML0 | Tryptophan 5-hydroxylase 1 | 1.14.16.4 | 0.443 | |
| 3jsi | WTC | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 3uzx | AOX | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.443 | |
| 4bfw | ZVW | Pantothenate kinase | 2.7.1.33 | 0.443 | |
| 4e90 | 7RG | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.443 | |
| 4h6p | FMN | Chromate reductase | / | 0.443 | |
| 4ms1 | 381 | Gamma-aminobutyric acid type B receptor subunit 1 | / | 0.443 | |
| 2r8o | T5X | Transketolase 1 | / | 0.442 | |
| 2rlc | CHD | Choloylglycine hydrolase | 3.5.1.24 | 0.442 | |
| 3a0t | ADP | Sensor histidine kinase | / | 0.442 | |
| 3b9l | AZZ | Serum albumin | / | 0.442 | |
| 3f3y | 4OA | Bile salt sulfotransferase | 2.8.2.14 | 0.442 | |
| 4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.442 | |
| 4hhy | 15R | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.442 | |
| 4oew | 5IO | cGMP-specific 3',5'-cyclic phosphodiesterase | / | 0.442 | |
| 3ny9 | JSZ | Beta-2 adrenergic receptor | / | 0.442 | |
| 1t7o | 152 | Carnitine O-acetyltransferase | 2.3.1.7 | 0.441 | |
| 2xuh | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.441 | |
| 3c4h | DRL | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.441 | |
| 3o76 | GTB | Glutathione S-transferase P 1 | 2.5.1.18 | 0.441 | |
| 3zks | WZV | Beta-secretase 2 | 3.4.23.45 | 0.441 | |
| 1ay0 | TPP | Transketolase 1 | 2.2.1.1 | 0.440 | |
| 1ps9 | MDE | 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.440 | |
| 1qyx | ASD | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.440 | |
| 3uzz | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.440 | |
| 4fa3 | 0SL | Aldo-keto reductase family 1 member C3 | / | 0.440 | |
| 4fam | 0SZ | Aldo-keto reductase family 1 member C3 | / | 0.440 | |
| 4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.440 | |
| 4llk | MEW | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.440 |