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 |
---|---|---|---|
1pu9 | COA | HAT A1 |
PDB ID | HET | Uniprot Name | EC Number | Binding Site Similarity |
Align |
---|---|---|---|---|---|
1pu9 | COA | HAT A1 | / | 1.000 | |
1qsn | COA | HAT A1 | / | 0.608 | |
1pua | COA | HAT A1 | / | 0.570 | |
1cm0 | COA | Histone acetyltransferase KAT2B | 2.3.1.48 | 0.528 | |
1z4r | ACO | Histone acetyltransferase KAT2A | 2.3.1.48 | 0.505 | |
2our | CMP | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.502 | |
4bfx | ZVX | Pantothenate kinase | 2.7.1.33 | 0.498 | |
4bb3 | KKA | Isopenicillin N synthase | 1.21.3.1 | 0.497 | |
5kf2 | ACO | Predicted acetyltransferase | / | 0.489 | |
1q0r | AKT | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.487 | |
1mew | XMP | Inosine-5'-monophosphate dehydrogenase | / | 0.485 | |
1q0z | AKA | Aclacinomycin methylesterase RdmC | 3.1.1.95 | 0.485 | |
3eks | CY9 | Actin-5C | / | 0.485 | |
2g1n | 1IG | Renin | 3.4.23.15 | 0.482 | |
3eku | CY9 | Actin-5C | / | 0.480 | |
2g24 | 7IG | Renin | 3.4.23.15 | 0.479 | |
1obn | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.478 | |
3tfy | COA | N-alpha-acetyltransferase 50 | 2.3.1 | 0.478 | |
1b2l | NDC | Alcohol dehydrogenase | 1.1.1.1 | 0.477 | |
4ozt | P1A | Ecdysone receptor, putative | / | 0.477 | |
1pqc | 444 | Oxysterols receptor LXR-beta | / | 0.474 | |
5e5h | 0T1 | Succinyl-CoA:acetate CoA-transferase | / | 0.474 | |
2g21 | L1B | Renin | 3.4.23.15 | 0.473 | |
1pq9 | 44B | Oxysterols receptor LXR-beta | / | 0.471 | |
2g1r | 3IG | Renin | 3.4.23.15 | 0.471 | |
4bft | ZVT | Pantothenate kinase | 2.7.1.33 | 0.471 | |
2zsd | COA | Pantothenate kinase | 2.7.1.33 | 0.470 | |
5cc9 | DDF | Dihydrofolate reductase | 1.5.1.3 | 0.469 | |
1qiq | ACC | Isopenicillin N synthase | 1.21.3.1 | 0.468 | |
1x1b | SAH | C-20 methyltransferase | / | 0.468 | |
2cjf | RP4 | 3-dehydroquinate dehydratase | 4.2.1.10 | 0.468 | |
2g1y | 5IG | Renin | 3.4.23.15 | 0.468 | |
1x1d | SAH | C-20 methyltransferase | / | 0.467 | |
4uug | PXG | Branched-chain amino acid aminotransferase, putative | / | 0.467 | |
2iku | LIY | Renin | 3.4.23.15 | 0.466 | |
3fr5 | I4A | Fatty acid-binding protein, adipocyte | / | 0.465 | |
1xs7 | MMI | Beta-secretase 1 | 3.4.23.46 | 0.464 | |
1hb3 | SCV | Isopenicillin N synthase | 1.21.3.1 | 0.463 | |
2ivi | ACW | Isopenicillin N synthase | 1.21.3.1 | 0.463 | |
2g1s | 4IG | Renin | 3.4.23.15 | 0.462 | |
2zat | NAP | Dehydrogenase/reductase SDR family member 4 | 1.1.1.184 | 0.462 | |
4bfv | ZVV | Pantothenate kinase | 2.7.1.33 | 0.462 | |
4h6z | ACO | Alpha-tubulin N-acetyltransferase 1 | / | 0.461 | |
4n4v | 2GY | Tankyrase-1 | 2.4.2.30 | 0.461 | |
5kgj | ACO | Predicted acetyltransferase | / | 0.461 | |
1iol | EST | Estradiol 17-beta-dehydrogenase 1 | 1.1.1.62 | 0.460 | |
2il2 | LIX | Renin | 3.4.23.15 | 0.460 | |
3d2m | COA | Amino-acid acetyltransferase | / | 0.460 | |
3fkt | SII | Beta-secretase 1 | 3.4.23.46 | 0.460 | |
3nn6 | HNK | 6-hydroxy-L-nicotine oxidase | / | 0.460 | |
5irn | ADP | Nucleotide binding oligomerization domain containing 2 | / | 0.460 | |
1kyx | CRM | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.459 | |
2g22 | 6IG | Renin | 3.4.23.15 | 0.459 | |
2q1s | NAI | Putative nucleotide sugar epimerase/ dehydratase | / | 0.459 | |
2vjm | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.459 | |
3bgx | MEF | Thymidylate synthase | / | 0.459 | |
3wle | NAD | (R)-specific carbonyl reductase | / | 0.459 | |
4y1b | NAP | AntE | / | 0.459 | |
1u1g | BBB | Uridine phosphorylase | 2.4.2.3 | 0.458 | |
3h2s | NDP | Putative NADH-flavin reductase | / | 0.458 | |
3rbq | GLY_ALA_GLY_ALA_DAO | Protein unc-119 homolog A | / | 0.458 | |
3u9f | CLM | Chloramphenicol acetyltransferase | 2.3.1.28 | 0.458 | |
3zky | WT4 | Isopenicillin N synthase | 1.21.3.1 | 0.458 | |
5kf8 | ACO | Predicted acetyltransferase | / | 0.458 | |
1z7y | AA5 | Cysteine synthase 1 | 2.5.1.47 | 0.457 | |
2ed4 | NAD | 4-hydroxyphenylacetate 3-monooxygenase reductase component | 1.5.1.36 | 0.457 | |
2y60 | M8F | Isopenicillin N synthase | 1.21.3.1 | 0.457 | |
3ohh | 3HH | Beta-secretase 1 | 3.4.23.46 | 0.457 | |
3udq | 09E | Beta-secretase 1 | 3.4.23.46 | 0.457 | |
1trg | CB3 | Thymidylate synthase | / | 0.456 | |
2vbp | VB1 | Isopenicillin N synthase | 1.21.3.1 | 0.456 | |
3udn | 09B | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
4j0v | 1H7 | Beta-secretase 1 | 3.4.23.46 | 0.456 | |
5c1m | CLR | Mu-type opioid receptor | / | 0.456 | |
1blz | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
1hb1 | OCV | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
1hfq | MOT | Dihydrofolate reductase | 1.5.1.3 | 0.455 | |
1qjf | ACS | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
1txt | CAA | HMG-CoA synthase | / | 0.455 | |
1wua | AP8 | Actin, alpha skeletal muscle | / | 0.455 | |
2xy9 | 3ES | Angiotensin-converting enzyme | 3.2.1 | 0.455 | |
3rsv | 3RS | Beta-secretase 1 | 3.4.23.46 | 0.455 | |
3zoi | M2W | Isopenicillin N synthase | 1.21.3.1 | 0.455 | |
4dk7 | 0KS | Oxysterols receptor LXR-beta | / | 0.455 | |
5c6c | CMP | cGMP-dependent protein kinase 2 | 2.7.11.12 | 0.455 | |
2j3j | HC4 | NADPH-dependent oxidoreductase 2-alkenal reductase | 1.3.1.74 | 0.454 | |
2ouu | 35G | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 3.1.4.17 | 0.454 | |
4f32 | N32 | 3-oxoacyl-[acyl-carrier-protein] synthase 2 | / | 0.454 | |
3eml | ZMA | Adenosine receptor A2a | / | 0.454 | |
1bk0 | ACV | Isopenicillin N synthase | 1.21.3.1 | 0.453 | |
1lke | DOG | Bilin-binding protein | / | 0.453 | |
1lwi | NAP | 3-alpha-hydroxysteroid dehydrogenase | 1.1.1.50 | 0.453 | |
1ndh | FAD | NADH-cytochrome b5 reductase 3 | 1.6.2.2 | 0.453 | |
1nm6 | L86 | Prothrombin | 3.4.21.5 | 0.453 | |
1svm | ATP | Large T antigen | 3.6.4 | 0.453 | |
2ou2 | ACO | Histone acetyltransferase KAT5 | / | 0.453 | |
2psw | COA | N-alpha-acetyltransferase 50 | / | 0.453 | |
3nmp | PYV | Abscisic acid receptor PYL2 | / | 0.453 | |
4b13 | X25 | Glycylpeptide N-tetradecanoyltransferase | / | 0.453 | |
4gv0 | 8ME | Poly [ADP-ribose] polymerase 3 | 2.4.2.30 | 0.453 | |
4k4f | K4F | Tankyrase-1 | 2.4.2.30 | 0.453 | |
1a9c | GTP | GTP cyclohydrolase 1 | 3.5.4.16 | 0.452 | |
1nqu | RDL | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.452 | |
1yhj | R6C | Pyridoxal kinase | 2.7.1.35 | 0.452 | |
2hiz | LIJ | Beta-secretase 1 | 3.4.23.46 | 0.452 | |
4dbs | 0HV | Aldo-keto reductase family 1 member C3 | / | 0.452 | |
4zj8 | SUV | Orexin receptor type 1 | / | 0.452 | |
2g1o | 2IG | Renin | 3.4.23.15 | 0.451 | |
2hxz | H7J | Cathepsin S | 3.4.22.27 | 0.451 | |
2jb4 | A14 | Isopenicillin N synthase | 1.21.3.1 | 0.451 | |
4b4w | 9L9 | Bifunctional protein FolD | / | 0.451 | |
4eb7 | PLP | Cysteine desulfurase IscS 2 | / | 0.451 | |
4hfr | 14M | Corticosteroid 11-beta-dehydrogenase isozyme 1 | 1.1.1.146 | 0.451 | |
4n1g | CEI | Obelin | / | 0.451 | |
4q0k | GA3 | Phytohormone-binding protein | / | 0.451 | |
2c9d | PHR | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.450 | |
2geu | COK | Pantothenate kinase | 2.7.1.33 | 0.450 | |
2gv8 | NDP | Thiol-specific monooxygenase | 1.14.13 | 0.450 | |
2qw0 | 34Z | 4-chlorobenzoyl CoA ligase | / | 0.450 | |
3wag | TYD | Glycosyltransferase | / | 0.450 | |
4dvi | 2IW | Tankyrase-1 | 2.4.2.30 | 0.450 | |
5dw6 | 0T1 | Succinyl-CoA:acetate CoA-transferase | / | 0.450 | |
1e7q | NAP | GDP-L-fucose synthase | / | 0.449 | |
2i65 | NAD | ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 | 3.2.2.6 | 0.449 | |
2p83 | MR0 | Beta-secretase 1 | 3.4.23.46 | 0.449 | |
2pnj | CHD | Ferrochelatase, mitochondrial | 4.99.1.1 | 0.449 | |
2vcm | M11 | Isopenicillin N synthase | 1.21.3.1 | 0.449 | |
3ndc | SAH | Precorrin-4 C(11)-methyltransferase | 2.1.1.133 | 0.449 | |
3slk | NDP | Polyketide synthase extender module 2 | / | 0.449 | |
4b14 | 4XB | Glycylpeptide N-tetradecanoyltransferase | / | 0.449 | |
5kf9 | ACO | Predicted acetyltransferase | / | 0.449 | |
1s20 | NAD | 2,3-diketo-L-gulonate reductase | 1.1.1.130 | 0.448 | |
2a0w | DIH | Purine nucleoside phosphorylase | 2.4.2.1 | 0.448 | |
2gjn | FMN | Nitronate monooxygenase | 1.13.12.16 | 0.448 | |
2vbd | V10 | Isopenicillin N synthase | 1.21.3.1 | 0.448 | |
3a3y | OBN | Sodium/potassium-transporting ATPase subunit alpha | / | 0.448 | |
3c3x | NAP | Eugenol synthase 1 | 1.1.1.318 | 0.448 | |
3gw9 | VNI | Lanosterol 14-alpha-demethylase | / | 0.448 | |
4g3j | VNT | Lanosterol 14-alpha-demethylase | / | 0.448 | |
1n5v | NOM | ActVA 6 protein | / | 0.447 | |
1o2g | 696 | Prothrombin | 3.4.21.5 | 0.447 | |
2ewm | NAD | (S)-1-Phenylethanol dehydrogenase | 1.1.1.311 | 0.447 | |
2xvq | 9DS | Serum albumin | / | 0.447 | |
3ada | NAD | Subunit alpha of sarocosine oxidase | / | 0.447 | |
3oqk | S52 | Renin | 3.4.23.15 | 0.447 | |
3tfu | PL8 | Adenosylmethionine-8-amino-7-oxononanoate aminotransferase | 2.6.1.62 | 0.447 | |
3zu2 | NAI | Enoyl-[acyl-carrier-protein] reductase [NADH] | / | 0.447 | |
4kq6 | DLZ | 6,7-dimethyl-8-ribityllumazine synthase | / | 0.447 | |
1gvh | FAD | Flavohemoprotein | / | 0.446 | |
1mj9 | COA | Histone acetyltransferase ESA1 | / | 0.446 | |
1x1c | SAH | C-20 methyltransferase | / | 0.446 | |
2ejz | SAH | Diphthine synthase | / | 0.446 | |
2giv | ACO | Histone acetyltransferase KAT8 | / | 0.446 | |
2hm1 | LIQ | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
2zxg | S23 | Aminopeptidase N | 3.4.11.2 | 0.446 | |
3b1d | PLS | BetaC-S lyase | / | 0.446 | |
3dy8 | 5GP | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.446 | |
3fhx | PXL | Pyridoxal kinase | 2.7.1.35 | 0.446 | |
3ggs | 2FD | Purine nucleoside phosphorylase | 2.4.2.1 | 0.446 | |
3q9b | B3N | Acetylpolyamine amidohydrolase | / | 0.446 | |
3vf6 | 0H6 | Glucokinase | 2.7.1.2 | 0.446 | |
4cf6 | CBD | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.446 | |
4d89 | BXD | Beta-secretase 1 | 3.4.23.46 | 0.446 | |
4k38 | SAM | Anaerobic sulfatase-maturating enzyme | 1.8.98 | 0.446 | |
4ktl | 1CQ | Cytochrome P450 | / | 0.446 | |
2j3q | TFL | Acetylcholinesterase | 3.1.1.7 | 0.445 | |
2lfo | GCH | Fatty acid-binding protein, liver | / | 0.445 | |
2wsa | 646 | Glycylpeptide N-tetradecanoyltransferase | / | 0.445 | |
3cb2 | GDP | Tubulin gamma-1 chain | / | 0.445 | |
3lpi | Z74 | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
3skg | PB8 | Beta-secretase 1 | 3.4.23.46 | 0.445 | |
3zbz | OVE | 2',3'-cyclic-nucleotide 3'-phosphodiesterase | 3.1.4.37 | 0.445 | |
4y0k | NAP | AntE | / | 0.445 | |
5dp2 | NAP | CurF | / | 0.445 | |
1kbo | 340 | NAD(P)H dehydrogenase [quinone] 1 | 1.6.5.2 | 0.444 | |
1p5r | COA | Formyl-CoA:oxalate CoA-transferase | / | 0.444 | |
1teh | NAD | Alcohol dehydrogenase class-3 | 1.1.1.1 | 0.444 | |
2hp2 | KE4 | Glutamate-1-semialdehyde 2,1-aminomutase | 5.4.3.8 | 0.444 | |
2iko | 7IG | Renin | 3.4.23.15 | 0.444 | |
2ivn | ANP | tRNA N6-adenosine threonylcarbamoyltransferase | / | 0.444 | |
2npi | ATP | mRNA cleavage and polyadenylation factor CLP1 | / | 0.444 | |
3dop | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.444 | |
3p0f | BAU | Uridine phosphorylase 2 | 2.4.2.3 | 0.444 | |
1bil | 0IU | Renin | 3.4.23.15 | 0.443 | |
1bws | NDP | GDP-L-fucose synthase | / | 0.443 | |
1mja | COA | Histone acetyltransferase ESA1 | / | 0.443 | |
1xom | CIO | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | 3.1.4.53 | 0.443 | |
2x7h | PFN | Prostaglandin reductase 3 | 1 | 0.443 | |
3br9 | DEY | Genome polyprotein | 2.7.7.48 | 0.443 | |
3c0i | 3AM | Peripheral plasma membrane protein CASK | 2.7.11.1 | 0.443 | |
3g45 | 988 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | 3.1.4.53 | 0.443 | |
3ikt | NAD | Redox-sensing transcriptional repressor Rex | / | 0.443 | |
3jqp | A2P | Ferredoxin--NADP reductase, apicoplast | / | 0.443 | |
3lpk | Z76 | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
3udk | 095 | Beta-secretase 1 | 3.4.23.46 | 0.443 | |
4ejm | NAP | Putative zinc-binding dehydrogenase | / | 0.443 | |
4u0m | GTP | Cyclic GMP-AMP synthase | / | 0.443 | |
2e0n | SAH | Precorrin-2 C20-methyltransferase | / | 0.442 | |
2ob0 | ACO | N-alpha-acetyltransferase 50 | / | 0.442 | |
2q1u | NAD | Putative nucleotide sugar epimerase/ dehydratase | / | 0.442 | |
2wo7 | ASV | Isopenicillin N synthase | 1.21.3.1 | 0.442 | |
3l0l | HC3 | Nuclear receptor ROR-gamma | / | 0.442 | |
3qt6 | 2P0 | Mevalonate diphosphate decarboxylase | / | 0.442 | |
3rdq | DTB | Streptavidin | / | 0.442 | |
3uzw | NAP | 3-oxo-5-beta-steroid 4-dehydrogenase | / | 0.442 | |
4a31 | 2CB | Glycylpeptide N-tetradecanoyltransferase | / | 0.442 | |
4b68 | FAD | L-ornithine N(5)-monooxygenase | / | 0.442 | |
4eu9 | COA | Succinyl-CoA:acetate CoA-transferase | / | 0.442 | |
4ge9 | 0L0 | Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial | 2.6.1.39 | 0.442 | |
4j1f | 1HL | Beta-secretase 1 | 3.4.23.46 | 0.442 | |
4jji | NAD | Alcohol dehydrogenase class-3 | / | 0.442 | |
4nv1 | 0FX | Formyl transferase | / | 0.442 | |
1mcz | RMN | Benzoylformate decarboxylase | 4.1.1.7 | 0.441 | |
1mjb | ACO | Histone acetyltransferase ESA1 | / | 0.441 | |
1w0k | ADP | ATP synthase subunit alpha, mitochondrial | / | 0.441 | |
1w0k | ADP | ATP synthase subunit beta, mitochondrial | 3.6.3.14 | 0.441 | |
2c9b | PUG | 6,7-dimethyl-8-ribityllumazine synthase | 2.5.1.78 | 0.441 | |
2ibw | COA | Acetyl-CoA acetyltransferase, mitochondrial | 2.3.1.9 | 0.441 | |
2v16 | C47 | Renin | 3.4.23.15 | 0.441 | |
3a1c | ACP | Probable copper-exporting P-type ATPase A | 3.6.3.54 | 0.441 | |
3c1k | T15 | Prothrombin | 3.4.21.5 | 0.441 | |
3drc | MTX | Dihydrofolate reductase | 1.5.1.3 | 0.441 | |
3k3h | BYE | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | / | 0.441 | |
3q43 | D66 | M1 family aminopeptidase | 3.4.11 | 0.441 | |
4bbh | YBN | Glycylpeptide N-tetradecanoyltransferase | / | 0.441 | |
4fse | 0VA | Beta-secretase 1 | 3.4.23.46 | 0.441 | |
4u9z | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.441 | |
5d4u | SAM | Uncharacterized protein MJ0489 | / | 0.441 | |
5ej4 | TD6 | 2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase | / | 0.441 | |
1fy7 | COA | Histone acetyltransferase ESA1 | / | 0.440 | |
1lb9 | DNQ | Glutamate receptor 2 | / | 0.440 | |
1qor | NDP | Quinone oxidoreductase 1 | / | 0.440 | |
1xp8 | AGS | Protein RecA | / | 0.440 | |
2cft | PLP | Pyridoxal phosphate phosphatase | / | 0.440 | |
3em0 | CHD | Fatty acid-binding protein 6, ileal (gastrotropin) | / | 0.440 | |
3fsj | D7K | Benzoylformate decarboxylase | 4.1.1.7 | 0.440 | |
3hhu | 819 | Heat shock protein HSP 90-alpha | / | 0.440 | |
3v2u | ATP | Protein GAL3 | / | 0.440 | |
4b11 | 7I1 | Glycylpeptide N-tetradecanoyltransferase | / | 0.440 | |
4b65 | FAD | L-ornithine N(5)-monooxygenase | / | 0.440 | |
4ips | 1G4 | Mycocyclosin synthase | 1.14.21.9 | 0.440 | |
4k36 | SAM | Anaerobic sulfatase-maturating enzyme | 1.8.98 | 0.440 | |
4ktk | KTK | Cytochrome P450 | / | 0.440 | |
4u9y | COA | Alpha-tubulin N-acetyltransferase 1 | / | 0.440 | |
4s0v | SUV | Orexin receptor type 2 | / | 0.440 |