sc-PDB
An Annotated Database of Druggable Binding Sites from the Protein DataBank
An Annotated Database of Druggable Binding Sites from the Protein DataBank
Binding Sites 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
Binding Sites are considered as similar when the similarity value is greater than 0.44
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 1nvm | NAD | Acetaldehyde dehydrogenase | 1.2.1.10 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 1nvm | NAD | Acetaldehyde dehydrogenase | 1.2.1.10 | 1.000 | |
| 2rcy | NAP | Pyrroline-5-carboxylate reductase | / | 0.515 | |
| 2ahr | NAP | Pyrroline-5-carboxylate reductase | / | 0.511 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.493 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.490 | |
| 3ggo | NAI | Prephenate dehydrogenase | / | 0.487 | |
| 2i3g | NAP | N-acetyl-gamma-glutamyl-phosphate reductase | 1.2.1.38 | 0.486 | |
| 4wji | NAP | Putative cyclohexadienyl dehydrogenase and ADH prephenate dehydrogenase | / | 0.485 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.480 | |
| 2jd1 | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.479 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.477 | |
| 2xaa | NAD | Secondary alcohol dehydrogenase | / | 0.477 | |
| 5hws | NAP | 2-dehydropantoate 2-reductase | / | 0.477 | |
| 3nf4 | FAD | Acyl-CoA dehydrogenase domain-containing protein | / | 0.476 | |
| 4lcj | NAD | C-terminal-binding protein 2 | / | 0.475 | |
| 4dpl | NAP | Malonyl-CoA reductase | 1.2.1.75 | 0.474 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.474 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.472 | |
| 1yqx | NAP | Sinapyl alcohol dehydrogenase | / | 0.472 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.472 | |
| 3b70 | NAP | Enoyl reductase LovC | 1 | 0.470 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.470 | |
| 4iv6 | FDA | Isovaleryl-CoA dehydrogenase | / | 0.469 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.468 | |
| 4bv9 | NDP | Ketimine reductase mu-crystallin | 1.5.1.25 | 0.468 | |
| 1egd | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.467 | |
| 1yqd | NAP | Sinapyl alcohol dehydrogenase | / | 0.467 | |
| 3abi | NAD | Uncharacterized protein | / | 0.467 | |
| 3qwb | NDP | Probable quinone oxidoreductase | 1.6.5.5 | 0.467 | |
| 3two | NDP | Mannitol dehydrogenase | / | 0.467 | |
| 5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.467 | |
| 1ma0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.466 | |
| 2jkv | NAP | 6-phosphogluconate dehydrogenase, decarboxylating | 1.1.1.44 | 0.465 | |
| 5jsc | FAD | Putative acyl-CoA dehydrogenase | / | 0.465 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.464 | |
| 3ggp | NAD | Prephenate dehydrogenase | / | 0.464 | |
| 4ajp | 88N | L-lactate dehydrogenase A chain | 1.1.1.27 | 0.464 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.463 | |
| 5af7 | FAD | Acyl-CoA dehydrogenase | / | 0.463 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.462 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.461 | |
| 2eba | FAD | Putative glutaryl-CoA dehydrogenase | / | 0.461 | |
| 1bim | 0QB | Renin | 3.4.23.15 | 0.460 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.460 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.460 | |
| 1cdo | NAD | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.459 | |
| 2g5c | NAD | Prephenate dehydrogenase | / | 0.459 | |
| 3ox4 | NAD | Alcohol dehydrogenase 2 | 1.1.1.1 | 0.459 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.459 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.459 | |
| 1gre | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.458 | |
| 1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
| 2gh5 | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.458 | |
| 3qv1 | NAD | Glyceraldehyde-3-phosphate dehydrogenase GAPA1, chloroplastic | 1.2.1.13 | 0.458 | |
| 1grb | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.457 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.457 | |
| 3owa | FAD | Acyl-CoA dehydrogenase | / | 0.457 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.457 | |
| 3dk8 | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.456 | |
| 4kqw | NAP | Ketol-acid reductoisomerase (NADP(+)) | / | 0.456 | |
| 4nfh | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.456 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.455 | |
| 2vna | NAP | Prostaglandin reductase 2 | 1.3.1.48 | 0.455 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.455 | |
| 3jv7 | NAD | Secondary alcohol dehydrogenase | / | 0.455 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.455 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.455 | |
| 4o1m | NAD | Enoyl-acyl carrier reductase | / | 0.455 | |
| 1sow | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.454 | |
| 2f1k | NAP | Prephenate dehydrogenase | / | 0.454 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.454 | |
| 4g7g | VFV | Lanosterol 14-alpha-demethylase | / | 0.454 | |
| 1kev | NDP | NADP-dependent isopropanol dehydrogenase | 1.1.1.80 | 0.453 | |
| 1rx0 | FAD | Isobutyryl-CoA dehydrogenase, mitochondrial | 1.3.99 | 0.453 | |
| 2c0c | NAP | Prostaglandin reductase 3 | 1 | 0.453 | |
| 4dwv | NAJ | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.453 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.453 | |
| 1t9g | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.452 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.452 | |
| 3s5w | NAP | L-ornithine N(5)-monooxygenase | / | 0.452 | |
| 1ege | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.451 | |
| 3dk4 | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.451 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.451 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.450 | |
| 2jhf | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.450 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.450 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.450 | |
| 1kkq | 471 | Peroxisome proliferator-activated receptor alpha | / | 0.449 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.449 | |
| 2fon | FAD | Acyl-coenzyme A oxidase | / | 0.449 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.449 | |
| 3mdd | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.449 | |
| 3pfd | FDA | Acyl-CoA dehydrogenase FadE25 | / | 0.449 | |
| 4wlv | NAD | Malate dehydrogenase, mitochondrial | 1.1.1.37 | 0.449 | |
| 1t2d | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.448 | |
| 2a1t | FAD | Medium-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.7 | 0.448 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.448 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.448 | |
| 1i2b | NAD | UDP-sulfoquinovose synthase, chloroplastic | 3.13.1.1 | 0.447 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.447 | |
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase | / | 0.447 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.447 | |
| 4dlb | NAD | S-(hydroxymethyl)glutathione dehydrogenase | / | 0.447 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 1a71 | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.446 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.446 | |
| 1grh | FAD | Glutathione reductase, mitochondrial | 1.8.1.7 | 0.446 | |
| 1lde | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.446 | |
| 2jd0 | NDP | 1-deoxy-D-xylulose 5-phosphate reductoisomerase | / | 0.446 | |
| 3fhy | ATP | Pyridoxal kinase | 2.7.1.35 | 0.446 | |
| 4qec | NAP | ElxO | / | 0.446 | |
| 4xqc | NAD | Homospermidine synthase | 2.5.1.44 | 0.446 | |
| 2ome | NAD | C-terminal-binding protein 2 | / | 0.445 | |
| 3hwr | NDP | 2-dehydropantoate 2-reductase | / | 0.445 | |
| 3int | FDA | UDP-galactopyranose mutase | 5.4.99.9 | 0.445 | |
| 3uoy | FAD | 2-oxo-Delta(3)-4,5,5-trimethylcyclopentenylacetyl-CoA monooxygenase | 1.14.13.160 | 0.445 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.445 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.445 | |
| 4xrg | NAD | Homospermidine synthase | 2.5.1.44 | 0.445 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.444 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.444 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.444 | |
| 4gl4 | NAI | Alcohol dehydrogenase class-3 | / | 0.444 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.444 | |
| 4xgi | NAD | Glutamate dehydrogenase | / | 0.444 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.444 | |
| 5ahs | FAD | Acyl-CoA dehydrogenase | / | 0.444 | |
| 1hku | NAD | C-terminal-binding protein 1 | 1.1.1 | 0.443 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.443 | |
| 2f4b | EHA | Peroxisome proliferator-activated receptor gamma | / | 0.443 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.443 | |
| 3r7k | FDA | Probable acyl CoA dehydrogenase | / | 0.443 | |
| 4bca | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.443 | |
| 4cpd | NAD | Alcohol dehydrogenase | / | 0.443 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.443 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.442 | |
| 2rab | FAD | Glutathione amide reductase | / | 0.442 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.442 | |
| 4jji | NAD | Alcohol dehydrogenase class-3 | / | 0.442 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.442 | |
| 4x28 | FDA | Acyl-CoA dehydrogenase FadE26 | / | 0.442 | |
| 4x28 | FDA | Acyl-CoA dehydrogenase FadE27 | / | 0.442 | |
| 1c1d | NAI | Phenylalanine dehydrogenase | / | 0.441 | |
| 1hdo | NAP | Flavin reductase (NADPH) | / | 0.441 | |
| 1mgo | NAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.441 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.441 | |
| 4p8r | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.441 | |
| 4xq9 | NAD | Homospermidine synthase | 2.5.1.44 | 0.441 | |
| 5hsa | FAS | Alcohol oxidase 1 | 1.1.3.13 | 0.441 | |
| 1adc | PAD | Alcohol dehydrogenase E chain | 1.1.1.1 | 0.440 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.440 | |
| 3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.440 | |
| 3w6u | NAP | 6-phosphogluconate dehydrogenase, NAD-binding protein | / | 0.440 | |
| 4irn | FAD | AnaB | / | 0.440 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.440 | |
| 4k9d | NAD | Glyceraldehyde-3-phosphate dehydrogenase | 1.2.1.12 | 0.440 | |
| 5dp2 | NAP | CurF | / | 0.440 |