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 |
|---|---|---|---|
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 1.000 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.589 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.567 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.564 | |
| 1e3s | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.561 | |
| 4nbu | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.550 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.548 | |
| 2hsd | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.546 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.543 | |
| 3nug | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.541 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.541 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.539 | |
| 4qec | NAP | ElxO | / | 0.529 | |
| 2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.526 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.524 | |
| 1e3w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.521 | |
| 2ag5 | NAD | 3-hydroxybutyrate dehydrogenase type 2 | / | 0.517 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.515 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.514 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.511 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.511 | |
| 3wds | NAD | NADH-dependent quinuclidinone reductase | / | 0.510 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.509 | |
| 1iy8 | NAD | Levodione reductase | / | 0.509 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.509 | |
| 2gdz | NAD | 15-hydroxyprostaglandin dehydrogenase [NAD(+)] | 1.1.1.141 | 0.507 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.505 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.505 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.504 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.499 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.499 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.499 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.498 | |
| 4dmm | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.498 | |
| 3sx2 | NAD | Uncharacterized protein | / | 0.497 | |
| 3w8e | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.497 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.497 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.497 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.496 | |
| 3s55 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.494 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.493 | |
| 2aqk | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.491 | |
| 2ztv | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.491 | |
| 4yai | NAI | C alpha-dehydrogenase | / | 0.491 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.490 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.489 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.488 | |
| 3f1k | NAP | Uncharacterized oxidoreductase YciK | 1 | 0.488 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.487 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.487 | |
| 3uxy | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.487 | |
| 4cr8 | NAD | N-acylmannosamine 1-dehydrogenase | 1.1.1.233 | 0.487 | |
| 4zju | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.487 | |
| 1bxk | NAD | dTDP-glucose 4,6-dehydratase 2 | / | 0.485 | |
| 1nfr | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.484 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.484 | |
| 2q2q | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.483 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.483 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.483 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.482 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.482 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.482 | |
| 2bd0 | NAP | Sepiapterin reductase | / | 0.482 | |
| 2aqi | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.481 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.481 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.481 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.480 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.480 | |
| 1b15 | NAE | Alcohol dehydrogenase | 1.1.1.1 | 0.479 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.479 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.479 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.478 | |
| 4eso | NAP | Putative oxidoreductase | / | 0.478 | |
| 1w4z | NAP | Putative ketoacyl reductase | 1.3.1 | 0.477 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.477 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.477 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.477 | |
| 3rj5 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.477 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.476 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.476 | |
| 4nd4 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.476 | |
| 5a1t | NAI | L-lactate dehydrogenase | / | 0.476 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.475 | |
| 4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.475 | |
| 2dkn | NAI | 3-alpha-hydroxysteroid dehydrogenase | / | 0.474 | |
| 2dte | NAI | Glucose 1-dehydrogenase related protein | / | 0.474 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.474 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.474 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.473 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.473 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.472 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.472 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.472 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.472 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.472 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.472 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.471 | |
| 1sby | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.470 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.470 | |
| 4qed | NAP | ElxO | / | 0.470 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.469 | |
| 2aa3 | AP0 | L-lactate dehydrogenase | / | 0.469 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.469 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.469 | |
| 4o1m | NAD | Enoyl-acyl carrier reductase | / | 0.469 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.468 | |
| 1sny | NAP | LD36273p | / | 0.468 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.468 | |
| 4yr9 | NAD | L-threonine 3-dehydrogenase, mitochondrial | 1.1.1.103 | 0.468 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.467 | |
| 1u7t | TDT | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.467 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.467 | |
| 1ma0 | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.466 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.466 | |
| 3rj9 | NAD | Alcohol dehydrogenase | 1.1.1.1 | 0.466 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.466 | |
| 1mg5 | NAI | Alcohol dehydrogenase | 1.1.1.1 | 0.465 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.465 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.465 | |
| 1b16 | NAQ | Alcohol dehydrogenase | 1.1.1.1 | 0.464 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.463 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.462 | |
| 3wmx | NAD | NAD dependent epimerase/dehydratase | / | 0.462 | |
| 1xg5 | NAP | Dehydrogenase/reductase SDR family member 11 | / | 0.460 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.460 | |
| 4m87 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.460 | |
| 1cdo | NAD | Alcohol dehydrogenase 1 | 1.1.1.1 | 0.459 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.459 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.459 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.459 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.459 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.458 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.458 | |
| 3tsc | NAD | Uncharacterized protein | / | 0.457 | |
| 4bmv | NAP | Short-chain dehydrogenase | / | 0.457 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.456 | |
| 3w8f | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.456 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.456 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.455 | |
| 4gl4 | NAI | Alcohol dehydrogenase class-3 | / | 0.455 | |
| 5idw | NAP | Short-chain dehydrogenase/reductase SDR | / | 0.455 | |
| 1nff | NAD | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.453 | |
| 1vl8 | NAP | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.453 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.453 | |
| 4egb | NAD | dTDP-glucose 4,6-dehydratase | / | 0.452 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.451 | |
| 3d64 | NAD | Adenosylhomocysteinase | / | 0.450 | |
| 3sju | NDP | Keto reductase | / | 0.450 | |
| 3bmo | NAP | Pteridine reductase | / | 0.449 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.448 | |
| 1sow | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.447 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.447 | |
| 2h9i | EAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.447 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.447 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.447 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.446 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.446 | |
| 3pgx | NAD | Uncharacterized NAD-dependent oxidoreductase MAP_4146 | / | 0.446 | |
| 5koi | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.446 | |
| 1npt | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.445 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.445 | |
| 3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.445 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.445 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.445 | |
| 2ie0 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.444 | |
| 1v35 | NAI | Enoyl-ACP reductase | / | 0.443 | |
| 3doc | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.443 | |
| 4i5e | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.443 | |
| 1t2d | NAD | L-lactate dehydrogenase | 1.1.1.27 | 0.442 | |
| 2hjr | APR | Malate dehydrogenase, adjacent gene encodes predicted lactate dehydrogenase | / | 0.442 | |
| 2rcy | NAP | Pyrroline-5-carboxylate reductase | / | 0.442 | |
| 3tn7 | NJP | Short-chain alcohol dehydrogenase | / | 0.442 | |
| 4p8r | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.442 | |
| 1u7t | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.441 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.441 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.440 | |
| 3cps | NAD | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.440 | |
| 4cpd | NAD | Alcohol dehydrogenase | / | 0.440 | |
| 4twr | NAD | NAD binding site:NAD-dependent epimerase/dehydratase:UDP-glucose 4-epimerase | / | 0.440 |