Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T56496 | Target Info | |||
| Target Name | Phenylethanolamine N-methyltransferase (PNMT) | ||||
| Synonyms | PNMTase; PENT; Noradrenaline N-methyltransferase | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | PNMT | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Octopamine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1C(CN)O)O | ||||
| InChI | 1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1 | ||||
| InChIKey | QHGUCRYDKWKLMG-QMMMGPOBSA-N | ||||
| PubChem Compound ID | 440266 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 2AN4 Structure of PNMT complexed with S-adenosyl-L-homocysteine and the acceptor substrate octopamine | ||||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [1] |
| PDB Sequence |
ASAYQRFEPR
33 AYLRNNYAPP43 RGDLCNPNGV53 GPWKLRCLAQ63 TFATGEVSGR73 TLIDIGSGPT 83 VYQLLSACSH93 FEDITMTDFL103 EVNRQELGRW113 LQEEPGAFNW123 SMYSQHACLI 133 EGKGECWQDK143 ERQLRARVKR153 VLPIDVHQPQ163 PLGAGSPAPL173 PADALVSAFC 183 LEAVSPDLAS193 FQRALDHITT203 LLRPGGHLLL213 IGALEESWYL223 AGEARLTVVP 233 VSEEEVREAL243 VRSGYKVRDL253 RTYIMPAHLQ263 TGVDDVKGVF273 FAWAQKVG |
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| PDB ID: 3HCA Crystal Structure of E185Q hPNMT in Complex With Octopamine and AdoHcy | ||||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [2] |
| PDB Sequence |
ASAYQRFEPR
33 AYLRNNYAPP43 RGDLCNPNGV53 GPWKLRCLAQ63 TFATGEVSGR73 TLIDIGSGPT 83 VYQLLSACSH93 FEDITMTDFL103 EVNRQELGRW113 LQEEPGAFNW123 SMYSQHACLI 133 EGKGECWQDK143 ERQLRARVKR153 VLPIDVHQPQ163 PLGAGSPAPL173 PADALVSAFC 183 LQAVSPDLAS193 FQRALDHITT203 LLRPGGHLLL213 IGALEESWYL223 AGEARLTVVP 233 VSEEEVREAL243 VRSGYKVRDL253 RTYIMPAHLQ263 TGVDDVKGVF273 FAWAQKVG |
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| PDB ID: 3HCE Crystal Structure of E185D hPNMT in Complex With Octopamine and AdoHcy | ||||||
| Method | X-ray diffraction | Resolution | 2.85 Å | Mutation | Yes | [2] |
| PDB Sequence |
ASAYQRFEPR
33 AYLRNNYAPP43 RGDLCNPNGV53 GPWKLRCLAQ63 TFATGEVSGR73 TLIDIGSGPT 83 VYQLLSACSH93 FEDITMTDFL103 EVNRQELGRW113 LQEEPGAFNW123 SMYSQHACLI 133 EGKGECWQDK143 ERQLRARVKR153 VLPIDVHQPQ163 PLGAGSPAPL173 PADALVSAFC 183 LDAVSPDLAS193 FQRALDHITT203 LLRPGGHLLL213 IGALEESWYL223 AGEARLTVVP 233 VSEEEVREAL243 VRSGYKVRDL253 RTYIMPAHLQ263 TGVDDVKGVF273 FAWAQKV |
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Mode of binding of methyl acceptor substrates to the adrenaline-synthesizing enzyme phenylethanolamine N-methyltransferase: implications for catalysis. Biochemistry. 2005 Dec 27;44(51):16875-85. | ||||
| REF 2 | Molecular recognition of physiological substrate noradrenaline by the adrenaline-synthesizing enzyme PNMT and factors influencing its methyltransferase activity. Biochem J. 2009 Aug 27;422(3):463-71. | ||||
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