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 Modes are compared using Grim.
For more information, please see the following publication:
Desaphy J. et al. Encoding Protein-Ligand Interaction Patterns in Fingerprints and Graphs J. Chem. Inf. Model., 2013, 53 (3), pp 623-637
Binding modes are considered as similar when the similarity value is greater than 0.65
| PDB ID | HET | Uniprot Name | EC Number |
|---|---|---|---|
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase |
| PDB ID | HET | Uniprot Name | EC Number | Binding Mode Similarity |
Align |
|---|---|---|---|---|---|
| 5bt9 | NAP | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 1.239 | |
| 4clo | NAP | Pteridine reductase | / | 1.023 | |
| 2bfo | NDP | Pteridine reductase 1 | 1.5.1.33 | 1.006 | |
| 3bmo | NAP | Pteridine reductase | / | 0.981 | |
| 3h4v | NAP | Pteridine reductase 1 | 1.5.1.33 | 0.962 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.855 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.790 | |
| 3gy0 | NAP | NAD(P)-dependent oxidoreductase | / | 0.789 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.786 | |
| 2hrb | NAP | Carbonyl reductase [NADPH] 3 | 1.1.1.184 | 0.786 | |
| 3ehe | NAD | UDP-glucose 4-epimerase (GalE-1) | / | 0.785 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.782 | |
| 1n5d | NDP | Carbonyl reductase [NADPH] 1 | / | 0.776 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.772 | |
| 1g0n | NDP | Tetrahydroxynaphthalene reductase | 1.1.1.252 | 0.768 | |
| 4hxy | NDP | Plm1 | / | 0.767 | |
| 1w73 | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.765 | |
| 5jyd | NAD | Short chain dehydrogenase | / | 0.762 | |
| 2c54 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.761 | |
| 4rf2 | NAP | NADPH dependent R-specific alcohol dehydrogenase | / | 0.753 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.751 | |
| 4fc7 | NAP | Peroxisomal 2,4-dienoyl-CoA reductase | 1.3.1.34 | 0.749 | |
| 4z3d | NDP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.749 | |
| 4j7x | NAP | Sepiapterin reductase | 1.1.1.153 | 0.748 | |
| 3g49 | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.747 | |
| 1w8d | NAP | 2,4-dienoyl-CoA reductase, mitochondrial | 1.3.1.34 | 0.746 | |
| 1xse | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.746 | |
| 3ai2 | NDP | NADPH-sorbose reductase | / | 0.742 | |
| 3ndr | NAD | Pyridoxal 4-dehydrogenase | 1.1.1.107 | 0.742 | |
| 3r3s | NAD | Putative oxidoreductase | / | 0.742 | |
| 1edo | NAP | 3-oxoacyl-[acyl-carrier-protein] reductase 1, chloroplastic | 1.1.1.100 | 0.740 | |
| 1oaa | NAP | Sepiapterin reductase | 1.1.1.153 | 0.738 | |
| 3icp | NAD | NAD-dependent epimerase/dehydratase | / | 0.738 | |
| 1h5q | NAP | NADP-dependent mannitol dehydrogenase | 1.1.1.138 | 0.737 | |
| 1pr9 | NAP | L-xylulose reductase | 1.1.1.10 | 0.737 | |
| 1geg | NAD | Diacetyl reductase [(S)-acetoin forming] | 1.1.1.304 | 0.735 | |
| 4kwh | NAP | Reductase homolog | / | 0.735 | |
| 2yut | NAP | Putative short-chain oxidoreductase | / | 0.734 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.731 | |
| 2c59 | NAD | GDP-mannose 3,5-epimerase | 5.1.3.18 | 0.728 | |
| 3ijr | NAD | Oxidoreductase, short chain dehydrogenase/reductase family | / | 0.728 | |
| 4fj0 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.727 | |
| 5js6 | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.724 | |
| 3o03 | NAP | Dehydrogenase with different specificities (Related to short-chain alcohol dehydrogenase) | / | 0.723 | |
| 4is3 | NAD | 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase 2 | 1.17.98.1 | 0.723 | |
| 1x7g | NAP | Putative ketoacyl reductase | 1.3.1 | 0.722 | |
| 2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.722 | |
| 3bhi | NAP | Carbonyl reductase [NADPH] 1 | 1.1.1.184 | 0.722 | |
| 4hwk | NAP | Sepiapterin reductase | 1.1.1.153 | 0.722 | |
| 5jy1 | NAD | Putative short-chain dehydrogenase/reductase | / | 0.719 | |
| 1n2s | NAI | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.718 | |
| 1x7h | NDP | Putative ketoacyl reductase | 1.3.1 | 0.718 | |
| 3aw9 | NAD | NAD-dependent epimerase/dehydratase | / | 0.717 | |
| 4dc0 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.717 | |
| 3p19 | NDP | Putative blue fluorescent protein | / | 0.715 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.714 | |
| 2wdz | NAD | Galactitol dehydrogenase | / | 0.714 | |
| 5lc1 | NAD | L-threonine 3-dehydrogenase | / | 0.714 | |
| 2nnl | NAP | Dihydroflavonol 4-reductase | 1.1.1.219 | 0.713 | |
| 4dbz | NDP | Putative ketoacyl reductase | 1.3.1 | 0.713 | |
| 4gh5 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.713 | |
| 3ruc | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.712 | |
| 3ruf | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.711 | |
| 4dc1 | NDP | Putative ketoacyl reductase | 1.3.1 | 0.710 | |
| 1p44 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.709 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.708 | |
| 3sxp | NAD | ADP-L-glycero-D-mannoheptose-6-epimerase | / | 0.708 | |
| 3geg | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.707 | |
| 1cyd | NDP | Carbonyl reductase [NADPH] 2 | 1.1.1.184 | 0.706 | |
| 3qwf | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.705 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.705 | |
| 4j7u | NAP | Sepiapterin reductase | 1.1.1.153 | 0.704 | |
| 4qec | NAP | ElxO | / | 0.704 | |
| 2d1y | NAD | Oxidoreductase, short-chain dehydrogenase/reductase family | / | 0.702 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.701 | |
| 3o26 | NDP | Salutaridine reductase | / | 0.697 | |
| 3sj7 | NDP | 3-oxoacyl-(Acyl-carrier-protein) reductase, putative | / | 0.697 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.696 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.696 | |
| 3oew | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.696 | |
| 4e5y | NDP | GDP-L-fucose synthase | 1.1.1.271 | 0.696 | |
| 4fj2 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.696 | |
| 2q1w | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.695 | |
| 3a28 | NAD | L-2,3-butanediol dehydrogenase | 1.1.1.76 | 0.695 | |
| 1bxk | NAD | dTDP-glucose 4,6-dehydratase 2 | / | 0.692 | |
| 2b69 | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.691 | |
| 3rua | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.691 | |
| 3d3w | NAP | L-xylulose reductase | 1.1.1.10 | 0.690 | |
| 4b79 | NAD | Probable short-chain dehydrogenase | / | 0.688 | |
| 1ae1 | NAP | Tropinone reductase 1 | / | 0.687 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.687 | |
| 3ko8 | NAD | NAD-dependent epimerase/dehydratase | / | 0.687 | |
| 1sny | NAP | LD36273p | / | 0.685 | |
| 2nv6 | ZID | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.685 | |
| 2ydx | NAP | Methionine adenosyltransferase 2 subunit beta | / | 0.685 | |
| 2b37 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.684 | |
| 1eny | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.683 | |
| 1ipe | NDP | Tropinone reductase 2 | 1.1.1.236 | 0.683 | |
| 1kvr | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.683 | |
| 3of2 | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.683 | |
| 4cql | NAD | Estradiol 17-beta-dehydrogenase 8 | 1.1.1.62 | 0.683 | |
| 4k6f | NAP | Putative Acetoacetyl-CoA reductase | / | 0.683 | |
| 3oey | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.682 | |
| 4b8z | NAP | GDP-L-fucose synthase | 1.1.1.271 | 0.681 | |
| 3ak4 | NAD | NADH-dependent quinuclidinone reductase | / | 0.680 | |
| 3lu1 | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.679 | |
| 3w8d | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.679 | |
| 4fj1 | NAP | 17beta-hydroxysteroid dehydrogenase | / | 0.679 | |
| 4id9 | NAD | Putative UDP-glucose 4-epimerase | / | 0.679 | |
| 4pvd | NDP | NADPH-dependent methylglyoxal reductase GRE2 | / | 0.678 | |
| 5ig2 | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.676 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.675 | |
| 1i3l | NAD | UDP-glucose 4-epimerase | / | 0.674 | |
| 3mje | NDP | AmphB | / | 0.674 | |
| 4qed | NAP | ElxO | / | 0.674 | |
| 5cpb | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.674 | |
| 3rku | NAP | NADP-dependent 3-hydroxy acid dehydrogenase | / | 0.673 | |
| 3ruh | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.673 | |
| 4fn4 | NAD | Short chain dehydrogenase | / | 0.673 | |
| 2q4b | NAP | Uncharacterized protein At5g02240 | / | 0.672 | |
| 2x86 | NAP | ADP-L-glycero-D-manno-heptose-6-epimerase | / | 0.671 | |
| 2ztu | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.671 | |
| 1xq6 | NAP | Uncharacterized protein At5g02240 | / | 0.670 | |
| 3l77 | NJP | Short-chain alcohol dehydrogenase | / | 0.670 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.670 | |
| 2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.669 | |
| 1orr | NAD | CDP-paratose 2-epimerase | / | 0.668 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.668 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.668 | |
| 2jah | NDP | Clavaldehyde dehydrogenase | / | 0.667 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.667 | |
| 1ybm | NAP | Uncharacterized protein At5g02240 | / | 0.666 | |
| 2ekp | NAD | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.666 | |
| 4gll | NAD | UDP-glucuronic acid decarboxylase 1 | 4.1.1.35 | 0.665 | |
| 4o1m | NAD | Enoyl-acyl carrier reductase | / | 0.665 | |
| 1kc1 | NDP | dTDP-4-dehydrorhamnose reductase | 1.1.1.133 | 0.664 | |
| 1rkx | NAD | CDP-D-glucose-4,6-dehydratase | / | 0.664 | |
| 2yy7 | NAD | L-threonine dehydrogenase | / | 0.663 | |
| 4hbg | NDP | 3-oxoacyl-[acyl-carrier-protein] reductase | 1.1.1.100 | 0.663 | |
| 5bsf | NAD | Pyrroline-5-carboxylate reductase | / | 0.663 | |
| 1ep3 | FMN | Dihydroorotate dehydrogenase B (NAD(+)), catalytic subunit | 1.3.1.14 | 0.662 | |
| 4o0l | NDP | NADPH-dependent 3-quinuclidinone reductase | / | 0.662 | |
| 2hun | NAD | 336aa long hypothetical dTDP-glucose 4,6-dehydratase | / | 0.661 | |
| 2o23 | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.661 | |
| 2pzj | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.661 | |
| 2wsb | NAD | Galactitol dehydrogenase | / | 0.661 | |
| 4idg | NAD | Putative UDP-glucose 4-epimerase | / | 0.661 | |
| 4oxy | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.661 | |
| 1yjq | NAP | 2-dehydropantoate 2-reductase | 1.1.1.169 | 0.660 | |
| 2q1t | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.660 | |
| 2yw9 | NAP | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.660 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.660 | |
| 4i9b | NAD | Putative betaine aldehyde dehyrogenase | / | 0.660 | |
| 5bsg | NAP | Pyrroline-5-carboxylate reductase | / | 0.660 | |
| 4dqu | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.657 | |
| 4dti | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.657 | |
| 1nah | NAD | UDP-glucose 4-epimerase | 5.1.3.2 | 0.656 | |
| 1wnt | NAP | L-xylulose reductase | 1.1.1.10 | 0.656 | |
| 3oa2 | NAD | UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate oxidase | / | 0.656 | |
| 3qrw | NDP | Putative ketoacyl reductase | 1.3.1 | 0.656 | |
| 3uic | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.656 | |
| 2pk3 | A2R | GDP-6-deoxy-D-mannose reductase | / | 0.655 | |
| 1hdr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.654 | |
| 3pdu | NAP | Glyoxalate/3-oxopropanoate/4-oxobutanoate reductase | / | 0.654 | |
| 4i3v | NAD | Aldehyde dehydrogenase (NAD+) | / | 0.654 | |
| 1cw3 | NAD | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.653 | |
| 1e6w | NAD | 3-hydroxyacyl-CoA dehydrogenase type-2 | 1.1.1.35 | 0.653 | |
| 1n7g | NDP | GDP-mannose 4,6 dehydratase 2 | 4.2.1.47 | 0.653 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.653 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.653 | |
| 1dhr | NAD | Dihydropteridine reductase | 1.5.1.34 | 0.652 | |
| 4bii | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.652 | |
| 4fr8 | ADP | Aldehyde dehydrogenase, mitochondrial | 1.2.1.3 | 0.652 | |
| 4trn | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.652 | |
| 1xkq | NDP | Uncharacterized protein | / | 0.651 | |
| 2bja | NAD | 1-pyrroline-5-carboxylate dehydrogenase | / | 0.651 | |
| 3rue | NAD | UDP-N-acetylglucosamine 4-epimerase | / | 0.651 | |
| 1fk8 | NAD | 3-alpha-hydroxysteroid dehydrogenase/carbonyl reductase | 1.1.1.50 | 0.650 | |
| 3o4r | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.650 | |
| 4yag | NAI | C alpha-dehydrogenase | / | 0.650 | |
| 5d2e | NAP | MlnE | / | 0.650 |