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 |
---|---|---|---|
1isj | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 | 3.2.2.6 |
PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
---|---|---|---|---|---|
1isj | NMN | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 | 3.2.2.6 | 1.000 | |
1isg | AGS | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 | 3.2.2.6 | 0.541 | |
1zkl | IBM | High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A | 3.1.4.53 | 0.497 | |
2j7c | IDE | Beta-glucosidase A | 3.2.1.21 | 0.473 | |
2r86 | ATP | 5-formaminoimidazole-4-carboxamide-1-(beta)-D-ribofuranosyl 5'-monophosphate synthetase | / | 0.473 | |
2e8u | IPE | Geranylgeranyl pyrophosphate synthase | / | 0.472 | |
3aiv | HBO | 4-hydroxy-7-methoxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl glucoside beta-D-glucosidase, chloroplastic | 3.2.1.182 | 0.471 | |
1i5r | HYC | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.470 | |
3uyk | 0CX | Probable NDP-rhamnosyltransferase | / | 0.469 | |
2v57 | PRL | TetR family transcriptional regulator | / | 0.468 | |
3ocw | 3AM | Lipoprotein E | / | 0.468 | |
4arb | C57 | Acetylcholinesterase | 3.1.1.7 | 0.467 | |
2c1z | KMP | Anthocyanidin 3-O-glucosyltransferase 2 | 2.4.1.115 | 0.464 | |
3wd9 | QPC | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.464 | |
3rm8 | RM8 | Acidic mammalian chitinase | 3.2.1.14 | 0.462 | |
1y2b | DEE | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.461 | |
2bjs | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.461 | |
4b14 | 4XB | Glycylpeptide N-tetradecanoyltransferase | / | 0.461 | |
2pb1 | NFG | Glucan 1,3-beta-glucosidase | / | 0.460 | |
2pdh | 47D | Aldose reductase | 1.1.1.21 | 0.458 | |
4dbw | 511 | Aldo-keto reductase family 1 member C3 | / | 0.458 | |
1ry0 | PG2 | Aldo-keto reductase family 1 member C3 | / | 0.457 | |
2a59 | LMZ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.457 | |
2fhj | H4Z | Formylmethanofuran--tetrahydromethanopterin formyltransferase | 2.3.1.101 | 0.457 | |
3ugr | IMN | Aldo-keto reductase family 1 member C3 | / | 0.457 | |
4au7 | SAH | Histone-lysine N-methyltransferase KMT5C | 2.1.1.43 | 0.457 | |
2f38 | 15M | Aldo-keto reductase family 1 member C3 | / | 0.456 | |
3htj | ET | EbrA repressor | / | 0.456 | |
4jvl | EST | Estrogen sulfotransferase | 2.8.2.4 | 0.456 | |
3nyt | ULP | UDP-2-acetamido-2-deoxy-3-oxo-D-glucuronate aminotransferase | 2.6.1.98 | 0.454 | |
2b82 | ADN | Class B acid phosphatase | 3.1.3.2 | 0.453 | |
4tnz | TTP | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 3.1.5 | 0.453 | |
5cc9 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.453 | |
2pdf | ZST | Aldose reductase | 1.1.1.21 | 0.452 | |
3gn7 | 3GN | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.452 | |
3hth | PRL | EbrA repressor | / | 0.452 | |
4bjc | RPB | Tankyrase-2 | 2.4.2.30 | 0.452 | |
1pax | DHQ | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.450 | |
4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.449 | |
4tvj | 09L | Poly [ADP-ribose] polymerase 2 | 2.4.2.30 | 0.449 | |
1efy | BZC | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.448 | |
2cdc | NAP | Glucose 1-dehydrogenase | / | 0.448 | |
2j7d | GI1 | Beta-glucosidase A | 3.2.1.21 | 0.448 | |
3ocx | 2AM | Lipoprotein E | / | 0.448 | |
3u57 | DH8 | Raucaffricine-O-beta-D-glucosidase | 3.2.1.125 | 0.448 | |
3zwo | G2Q | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase | 3.2.2.6 | 0.448 | |
4jpg | 1OX | Pyruvate kinase PKM | 2.7.1.40 | 0.448 | |
2fjm | 073 | Tyrosine-protein phosphatase non-receptor type 1 | 3.1.3.48 | 0.447 | |
3dz6 | M8E | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 0.447 | |
3h0w | N8M | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 0.447 | |
3arv | SAU | Chitinase A | / | 0.446 | |
3bm4 | ADV | ADP-sugar pyrophosphatase | 3.6.1.13 | 0.446 | |
3bur | TES | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.446 | |
3dz7 | O8M | S-adenosylmethionine decarboxylase proenzyme | 4.1.1.50 | 0.446 | |
4gv2 | 5ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.446 | |
1zkn | IBM | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.445 | |
3fap | ARD | Peptidyl-prolyl cis-trans isomerase FKBP1A | 5.2.1.8 | 0.445 | |
3fap | ARD | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.445 | |
4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.445 | |
2ycz | I32 | Beta-1 adrenergic receptor | / | 0.445 | |
1ro6 | ROL | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.444 | |
1w6r | GNT | Acetylcholinesterase | 3.1.1.7 | 0.444 | |
2aot | SAH | Histamine N-methyltransferase | 2.1.1.8 | 0.444 | |
2fzb | TOL | Aldose reductase | 1.1.1.21 | 0.444 | |
2hzq | STR | Apolipoprotein D | / | 0.444 | |
3l3l | L3L | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.444 | |
1ejb | INJ | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.443 | |
2x9v | TMQ | Pteridine reductase | / | 0.443 | |
3g4i | D71 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
1uk0 | FRM | Poly [ADP-ribose] polymerase 1 | 2.4.2.30 | 0.442 | |
2xug | TZ4 | Acetylcholinesterase | 3.1.1.7 | 0.442 | |
3g58 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.442 | |
3iu9 | T07 | Methionine aminopeptidase 2 | / | 0.442 | |
1xf0 | ASD | Aldo-keto reductase family 1 member C3 | / | 0.441 | |
2d06 | EST | Sulfotransferase 1A1 | 2.8.2.1 | 0.441 | |
3l9m | L9M | cAMP-dependent protein kinase catalytic subunit alpha | 2.7.11.11 | 0.441 | |
1srf | MTB | Streptavidin | / | 0.440 | |
2i65 | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.440 | |
3uel | A1R | Poly(ADP-ribose) glycohydrolase | 3.2.1.143 | 0.440 | |
4drj | RAP | Serine/threonine-protein kinase mTOR | 2.7.11.1 | 0.440 | |
4drj | RAP | Peptidyl-prolyl cis-trans isomerase FKBP4 | 5.2.1.8 | 0.440 | |
5cxv | 0HK | Muscarinic acetylcholine receptor M1 | / | 0.440 |