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 |
|---|---|---|---|
| 4m6j | NDP | Dihydrofolate reductase | 1.5.1.3 |
| PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
|---|---|---|---|---|---|
| 4m6j | NDP | Dihydrofolate reductase | 1.5.1.3 | 1.000 | |
| 3qlr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.624 | |
| 1ia1 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.615 | |
| 1m78 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.598 | |
| 3inv | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.597 | |
| 3kjs | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.589 | |
| 1ai9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.588 | |
| 3qls | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.584 | |
| 1dr2 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.583 | |
| 1drh | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.573 | |
| 1dr3 | TAP | Dihydrofolate reductase | 1.5.1.3 | 0.570 | |
| 1rx1 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.570 | |
| 2h2q | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.570 | |
| 3dga | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.570 | |
| 3clb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.560 | |
| 1dr5 | NAP | Dihydrofolate reductase | 1.5.1.3 | 0.556 | |
| 1dg8 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.551 | |
| 3d84 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.543 | |
| 3hbb | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.541 | |
| 3tqa | NDP | Dihydrofolate reductase | / | 0.530 | |
| 2cig | 1DG | Dihydrofolate reductase | 1.5.1.3 | 0.525 | |
| 3kjr | NAP | Bifunctional dihydrofolate reductase-thymidylate synthase | / | 0.525 | |
| 5ecc | NAP | Dehydrofolate reductase type I | / | 0.520 | |
| 1ia4 | TQ6 | Dihydrofolate reductase | 1.5.1.3 | 0.519 | |
| 3dg8 | NDP | Bifunctional dihydrofolate reductase-thymidylate synthase | 1.5.1.3 | 0.519 | |
| 8dfr | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.512 | |
| 3nxx | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.509 | |
| 4gl4 | NAI | Alcohol dehydrogenase class-3 | / | 0.497 | |
| 4kl9 | NDP | Dihydrofolate reductase | 1.5.1.3 | 0.491 | |
| 2cf6 | NAP | Cinnamyl alcohol dehydrogenase 5 | 1.1.1.195 | 0.484 | |
| 4g3j | VNT | Lanosterol 14-alpha-demethylase | / | 0.483 | |
| 4a83 | DXC | Major pollen allergen Bet v 1-A | / | 0.476 | |
| 1ia3 | TQ5 | Dihydrofolate reductase | 1.5.1.3 | 0.475 | |
| 2hun | NAD | 336aa long hypothetical dTDP-glucose 4,6-dehydratase | / | 0.475 | |
| 3tjz | GNP | ADP-ribosylation factor 1 | / | 0.474 | |
| 4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.474 | |
| 3gqv | NAP | Enoyl reductase LovC | 1 | 0.473 | |
| 2w9h | TOP | Dihydrofolate reductase | 1.5.1.3 | 0.472 | |
| 1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.471 | |
| 1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.471 | |
| 4bca | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.471 | |
| 2iko | 7IG | Renin | 3.4.23.15 | 0.470 | |
| 3a3g | DLZ | Lumazine protein | / | 0.470 | |
| 3fpz | AHZ | Thiamine thiazole synthase | / | 0.470 | |
| 4amb | DUD | Putative glycosyl transferase | / | 0.470 | |
| 4nd3 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.470 | |
| 1w6h | TIT | Plasmepsin-2 | 3.4.23.39 | 0.469 | |
| 1xl8 | 152 | Peroxisomal carnitine O-octanoyltransferase | 2.3.1.137 | 0.469 | |
| 1xdd | AAY | Integrin alpha-L | / | 0.468 | |
| 2a94 | AP0 | L-lactate dehydrogenase | 1.1.1.27 | 0.468 | |
| 2fn7 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.468 | |
| 4eag | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.468 | |
| 4nd2 | A3D | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.468 | |
| 1me6 | IVS | Plasmepsin-2 | 3.4.23.39 | 0.466 | |
| 2il2 | LIX | Renin | 3.4.23.15 | 0.466 | |
| 3vdq | NAD | 3-hydroxybutyrate dehydrogenase | / | 0.465 | |
| 4nbt | NAD | 3-oxoacyl-[acyl-carrier-protein] reductase | / | 0.465 | |
| 5ez7 | FAD | Probable FAD-dependent oxidoreductase PA4991 | / | 0.463 | |
| 4q71 | FAD | Bifunctional protein PutA | / | 0.462 | |
| 1gee | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.461 | |
| 3b6z | CO7 | Enoyl reductase LovC | 1 | 0.461 | |
| 4l0q | NAD | Alcohol dehydrogenase class-3 | / | 0.461 | |
| 1t2c | NAI | L-lactate dehydrogenase | 1.1.1.27 | 0.460 | |
| 2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.460 | |
| 3f03 | FMN | Pentaerythritol tetranitrate reductase | / | 0.460 | |
| 4a81 | DXC | Major pollen allergen Bet v 1-A | / | 0.460 | |
| 4fw8 | NAI | 3-oxoacyl-(Acyl-carrier-protein) reductase | / | 0.460 | |
| 4m83 | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.460 | |
| 4z61 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.460 | |
| 5eio | NAP | [LysW]-L-2-aminoadipate 6-phosphate reductase | / | 0.460 | |
| 3lqf | NAD | Galactitol dehydrogenase | / | 0.459 | |
| 3mvq | NDP | Glutamate dehydrogenase 1, mitochondrial | 1.4.1.3 | 0.459 | |
| 4c7k | NAP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.459 | |
| 4rww | 2BA | Lmo2692 protein | / | 0.459 | |
| 1u71 | MXA | Dihydrofolate reductase | 1.5.1.3 | 0.458 | |
| 2aa3 | AP0 | L-lactate dehydrogenase | / | 0.458 | |
| 2g1r | 3IG | Renin | 3.4.23.15 | 0.458 | |
| 2g8y | NAD | Hydroxycarboxylate dehydrogenase B | / | 0.458 | |
| 3il1 | B5D | Glutamate receptor 2 | / | 0.458 | |
| 1g1a | NAD | dTDP-glucose 4,6-dehydratase | / | 0.457 | |
| 1rfu | ADP | Pyridoxal kinase | 2.7.1.35 | 0.457 | |
| 2g24 | 7IG | Renin | 3.4.23.15 | 0.457 | |
| 2vwq | NAP | Glucose 1-dehydrogenase | / | 0.457 | |
| 4ejm | NAP | Putative zinc-binding dehydrogenase | / | 0.457 | |
| 1xe5 | 5FE | Plasmepsin-2 | 3.4.23.39 | 0.456 | |
| 2a92 | NAI | L-lactate dehydrogenase | / | 0.456 | |
| 2aqh | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.456 | |
| 2dhf | DZF | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 2ft9 | CHD | Fatty acid-binding protein 2, liver | / | 0.456 | |
| 2g1n | 1IG | Renin | 3.4.23.15 | 0.456 | |
| 2iya | ZIO | Oleandomycin glycosyltransferase | / | 0.456 | |
| 3bc3 | OPT | Cathepsin L1 | 3.4.22.15 | 0.456 | |
| 3iqi | ASN_GLU_ASN_ILE | Cysteine synthase | 2.5.1.47 | 0.456 | |
| 3oaf | OAG | Dihydrofolate reductase | 1.5.1.3 | 0.456 | |
| 3tox | NAP | Putative oxidoreductase | / | 0.456 | |
| 4xq9 | NAD | Homospermidine synthase | 2.5.1.44 | 0.456 | |
| 1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.455 | |
| 2o1s | TDP | 1-deoxy-D-xylulose-5-phosphate synthase | 2.2.1.7 | 0.455 | |
| 4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.455 | |
| 4q73 | FAD | Bifunctional protein PutA | / | 0.455 | |
| 2iyf | ERY | Oleandomycin glycosyltransferase | 2.4.1 | 0.454 | |
| 3phi | NDP | Shikimate dehydrogenase (NADP(+)) | / | 0.454 | |
| 4ef9 | FMN | Dihydroorotate dehydrogenase (fumarate) | / | 0.454 | |
| 1gco | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.453 | |
| 2d29 | FAD | Acyl-CoA dehydrogenase | / | 0.453 | |
| 2hm1 | LIQ | Beta-secretase 1 | 3.4.23.46 | 0.453 | |
| 3ai3 | NDP | NADPH-sorbose reductase | / | 0.453 | |
| 3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.453 | |
| 3h2s | NDP | Putative NADH-flavin reductase | / | 0.453 | |
| 4eak | ATP | 5'-AMP-activated protein kinase subunit gamma-1 | / | 0.453 | |
| 2b4t | AES | Glyceraldehyde-3-phosphate dehydrogenase | / | 0.452 | |
| 2rqf | JH3 | Hemolymph juvenile hormone binding protein | / | 0.452 | |
| 3a4v | NAD | NDP-sugar epimerase | / | 0.452 | |
| 4g6g | FAD | Rotenone-insensitive NADH-ubiquinone oxidoreductase, mitochondrial | 1.6.5.9 | 0.452 | |
| 5d3q | GDP | Dynamin-1 | 3.6.5.5 | 0.452 | |
| 1bim | 0QB | Renin | 3.4.23.15 | 0.451 | |
| 1u1i | NAD | Myo-inositol-1-phosphate synthase (Ino1) | / | 0.451 | |
| 1zem | NAD | Xylitol dehydrogenase | / | 0.451 | |
| 2ktd | PUC | Prostaglandin-H2 D-isomerase | 5.3.99.2 | 0.451 | |
| 2q46 | NAP | Uncharacterized protein At5g02240 | / | 0.451 | |
| 3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.451 | |
| 3hx4 | ANP | Calmodulin-domain protein kinase 1 | / | 0.451 | |
| 4bc7 | FAD | Alkyldihydroxyacetonephosphate synthase, peroxisomal | 2.5.1.26 | 0.451 | |
| 1fm4 | DXC | Major pollen allergen Bet v 1-L | / | 0.450 | |
| 2ztm | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.450 | |
| 3ig6 | 438 | Urokinase-type plasminogen activator | 3.4.21.73 | 0.450 | |
| 3r83 | Z14 | Cyclin-dependent kinase 2 | 2.7.11.22 | 0.450 | |
| 4z63 | ILE_THR_GLN_TYS_TYS | Phytosulfokine receptor 1 | 2.7.11.1 | 0.450 | |
| 1g6k | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.449 | |
| 1tqf | 32P | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 2c31 | TZD | Oxalyl-CoA decarboxylase | 4.1.1.8 | 0.449 | |
| 2fw3 | BUI | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.449 | |
| 2ifa | FMN | Uncharacterized protein | / | 0.449 | |
| 2ztl | NAD | D(-)-3-hydroxybutyrate dehydrogenase | / | 0.449 | |
| 4dre | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | 1.3.1.9 | 0.449 | |
| 4ew2 | DXY | Trifunctional purine biosynthetic protein adenosine-3 | 2.1.2.2 | 0.449 | |
| 4ke1 | 1R6 | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
| 4nbw | NAD | Short-chain dehydrogenase/reductase SDR | / | 0.449 | |
| 5a3b | APR | SIR2 family protein | / | 0.449 | |
| 1hdo | NAP | Flavin reductase (NADPH) | / | 0.448 | |
| 2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.448 | |
| 2rcy | NAP | Pyrroline-5-carboxylate reductase | / | 0.448 | |
| 3iah | NAP | Putative oxoacyl-(Acyl carrier protein) reductase | / | 0.448 | |
| 4ew3 | DXZ | Trifunctional purine biosynthetic protein adenosine-3 | 2.1.2.2 | 0.448 | |
| 4kla | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.448 | |
| 1e3e | NAI | Alcohol dehydrogenase 4 | 1.1.1.1 | 0.447 | |
| 1f8f | NAD | Benzyl alcohol dehydrogenase | / | 0.447 | |
| 1nup | NMN | Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3 | / | 0.447 | |
| 2c29 | NAP | Dihydroflavonol 4-reductase | / | 0.447 | |
| 2q2v | NAD | Beta-D-hydroxybutyrate dehydrogenase | / | 0.447 | |
| 2q85 | 973 | UDP-N-acetylenolpyruvoylglucosamine reductase | 1.3.1.98 | 0.447 | |
| 2yyi | FAD | 4-hydroxyphenylacetate 3-monooxygenase oxygenase component | 1.14.14.9 | 0.447 | |
| 3a1n | NAD | NDP-sugar epimerase | / | 0.447 | |
| 3ieu | GDP | GTPase Era | / | 0.447 | |
| 4a6b | QG8 | Gag-Pol polyprotein | 3.4.23.16 | 0.447 | |
| 4irn | FAD | AnaB | / | 0.447 | |
| 4xgu | ADP | Putative pachytene checkpoint protein 2 | / | 0.447 | |
| 1lf3 | EH5 | Plasmepsin-2 | 3.4.23.39 | 0.446 | |
| 1xe6 | 5FP | Plasmepsin-2 | 3.4.23.39 | 0.446 | |
| 2y0m | ACO | Histone acetyltransferase KAT8 | / | 0.446 | |
| 4bfz | ZVZ | Pantothenate kinase | 2.7.1.33 | 0.446 | |
| 4i8z | G08 | Gag-Pol polyprotein | 3.4.23.16 | 0.446 | |
| 4q72 | FAD | Bifunctional protein PutA | / | 0.446 | |
| 4xqc | NAD | Homospermidine synthase | 2.5.1.44 | 0.446 | |
| 2qo9 | ANP | Ephrin type-A receptor 3 | 2.7.10.1 | 0.445 | |
| 2yyl | FAD | 4-hydroxyphenylacetate 3-monooxygenase oxygenase component | 1.14.14.9 | 0.445 | |
| 3gob | HXX | DdmC | / | 0.445 | |
| 3uyl | TYD | Probable NDP-rhamnosyltransferase | / | 0.445 | |
| 3zbr | NAP | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.445 | |
| 4bfs | ZVS | Pantothenate kinase | 2.7.1.33 | 0.445 | |
| 4eyw | L0R | Carnitine O-palmitoyltransferase 2, mitochondrial | 2.3.1.21 | 0.445 | |
| 4f6w | 0SS | Cyclin-dependent kinase 8 | 2.7.11.22 | 0.445 | |
| 1cf3 | FAD | Glucose oxidase | 1.1.3.4 | 0.444 | |
| 1jtv | TES | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.444 | |
| 2b58 | COA | Diamine acetyltransferase 1 | / | 0.444 | |
| 2e15 | SAH | Diphthine synthase | / | 0.444 | |
| 2rlc | CHD | Choloylglycine hydrolase | 3.5.1.24 | 0.444 | |
| 3mdm | FJZ | Cholesterol 24-hydroxylase | / | 0.444 | |
| 3r7k | FDA | Probable acyl CoA dehydrogenase | / | 0.444 | |
| 3to6 | LYS_CMC | Histone acetyltransferase ESA1 | / | 0.444 | |
| 4dja | FAD | (6-4) photolyase | / | 0.444 | |
| 1c1d | NAI | Phenylalanine dehydrogenase | / | 0.443 | |
| 1e5q | NDP | Saccharopine dehydrogenase [NADP(+), L-glutamate-forming] | 1.5.1.10 | 0.443 | |
| 1fy7 | COA | Histone acetyltransferase ESA1 | / | 0.443 | |
| 1hdc | CBO | 3-alpha-(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | 0.443 | |
| 2giv | ACO | Histone acetyltransferase KAT8 | / | 0.443 | |
| 2gmh | FAD | Electron transfer flavoprotein-ubiquinone oxidoreductase, mitochondrial | 1.5.5.1 | 0.443 | |
| 3c1y | 2BA | DNA integrity scanning protein DisA | / | 0.443 | |
| 4h8a | NAI | Ureidoglycolate dehydrogenase (NAD(+)) | 1.1.1.350 | 0.443 | |
| 5jsf | NAD | 17-beta-hydroxysteroid dehydrogenase 14 | 1.1.1 | 0.443 | |
| 1lwi | NAP | 3-alpha-hydroxysteroid dehydrogenase | 1.1.1.50 | 0.442 | |
| 1rwb | NAD | Glucose 1-dehydrogenase | 1.1.1.47 | 0.442 | |
| 2ejv | NAD | L-threonine 3-dehydrogenase | / | 0.442 | |
| 2irz | I02 | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
| 2rbe | NDP | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.442 | |
| 2wyv | NAD | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.442 | |
| 3bk2 | U5P | Ribonuclease J | / | 0.442 | |
| 3clr | FAD | Electron transfer flavoprotein subunit alpha | / | 0.442 | |
| 3e2s | FAD | Bifunctional protein PutA | 1.5.5.2 | 0.442 | |
| 3vyd | VYD | Renin | 3.4.23.15 | 0.442 | |
| 3zuy | TCH | Transporter | / | 0.442 | |
| 4bms | NAP | Alclohol dehydrogenase/short-chain dehydrogenase | / | 0.442 | |
| 4lxj | LAN | Lanosterol 14-alpha demethylase | 1.14.13.70 | 0.442 | |
| 4uym | VOR | 14-alpha sterol demethylase Cyp51B | / | 0.442 | |
| 1nbo | NAD | Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic | 1.2.1.13 | 0.441 | |
| 1rne | C60 | Renin | 3.4.23.15 | 0.441 | |
| 1siq | FAD | Glutaryl-CoA dehydrogenase, mitochondrial | 1.3.8.6 | 0.441 | |
| 2c20 | NAD | UDP-glucose 4-epimerase | / | 0.441 | |
| 2ch6 | ADP | N-acetyl-D-glucosamine kinase | 2.7.1.59 | 0.441 | |
| 2dvl | FAD | Acyl-CoA dehydrogenase | / | 0.441 | |
| 2eba | FAD | Putative glutaryl-CoA dehydrogenase | / | 0.441 | |
| 2gjl | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.441 | |
| 3etd | NDP | Glutamate dehydrogenase 1, mitochondrial | 1.4.1.3 | 0.441 | |
| 3i5z | Z48 | Mitogen-activated protein kinase 1 | 2.7.11.24 | 0.441 | |
| 3in6 | FMN | Uncharacterized protein | / | 0.441 | |
| 3r9u | FAD | Thioredoxin reductase | / | 0.441 | |
| 3t1t | GDP | Probable gliding protein mglA | / | 0.441 | |
| 4hp8 | NAP | 2-deoxy-D-gluconate 3-dehydrogenase | / | 0.441 | |
| 4nd4 | NAD | Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase | / | 0.441 | |
| 5ein | NAP | [LysW]-L-2-aminoadipate 6-phosphate reductase | / | 0.441 | |
| 1cg6 | MTA | S-methyl-5'-thioadenosine phosphorylase | / | 0.440 | |
| 1lbc | CYZ | Glutamate receptor 2 | / | 0.440 | |
| 1ur5 | NAD | Malate dehydrogenase | / | 0.440 | |
| 1y9d | TPP | Pyruvate oxidase | 1.2.3.3 | 0.440 | |
| 2ggs | NDP | dTDP-4-dehydrorhamnose reductase | / | 0.440 | |
| 2vig | FAD | Short-chain specific acyl-CoA dehydrogenase, mitochondrial | 1.3.8.1 | 0.440 | |
| 2zba | ZBA | Trichothecene 3-O-acetyltransferase | / | 0.440 | |
| 3fp0 | FP0 | 15-O-acetyltransferase | / | 0.440 | |
| 3h06 | VBP | Glutamate receptor 2 | / | 0.440 | |
| 3hl0 | NAD | Maleylacetate reductase | / | 0.440 | |
| 3isj | A8D | Pantothenate synthetase | 6.3.2.1 | 0.440 | |
| 3zei | AWH | O-acetylserine sulfhydrylase | / | 0.440 | |
| 3zw9 | NAD | Peroxisomal bifunctional enzyme | 1.1.1.35 | 0.440 | |
| 4dd8 | BAT | Disintegrin and metalloproteinase domain-containing protein 8 | 3.4.24 | 0.440 | |
| 4emt | C2E | Stimulator of interferon genes protein | / | 0.440 | |
| 5jla | NAD | Putative short-chain dehydrogenase/reductase | / | 0.440 |