Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T48268 | Target Info | |||
| Target Name | Melatonin receptor type 1B (MTNR1B) | ||||
| Synonyms | Mel1b receptor; Mel1b melatonin receptor; Mel-1B-R | ||||
| Target Type | Successful Target | ||||
| Gene Name | MTNR1B | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Ramelteon | Ligand Info | |||
| Canonical SMILES | CCC(=O)NCCC1CCC2=C1C3=C(C=C2)OCC3 | ||||
| InChI | 1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1 | ||||
| InChIKey | YLXDSYKOBKBWJQ-LBPRGKRZSA-N | ||||
| PubChem Compound ID | 208902 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7VH0 MT2-remalteon-Gi complex | ||||||
| Method | Electron microscopy | Resolution | 3.46 Å | Mutation | No | [1] |
| PDB Sequence |
WVAPALSAVL
47 IVTTAVDVVG57 NLLVILSVLR67 NRKLRNAGNL77 FLVSLALADL87 VVAFYPYPLI 97 LVAIFYDGWA107 FGEEHCKASA117 FVMGLSVIGS127 VWNITAIAIN137 RYLYICHSMA 147 YHRIYRRWHT157 PLHICLIWLL167 TVVALLPNFF177 VGSLEYDPRI187 YSCTFIQTAS 197 TQYTAAVVVI207 HFLLPIAVVS217 FCYLRIWVLV227 LQARRKAKSF250 LTMFVVFVIF 260 AICWAPLNCI270 GLAVAINPQE280 MAPQIPEGLF290 VTSYLLAYFN300 SCLNAIVYGL 310 LNQNFRREYK320 RIL
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| PDB ID: 6ME9 XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | Yes | [2] |
| PDB Sequence |
ADLEDNWETL
2010 NDNLKVIEKA2020 DNAAQVKDAL2030 TKMRAAALDA2040 QKATPPKLED2050 KSPDSPEMKD 2060 FRHGFDILVG2070 QIDDALKLAN2080 EGKVKEAQAA2090 AEQLKTTRNA2100 YIQKYLGDGA 34 RPSWVAPALS44 AVLIVTTAVD54 VVGNLLVILS64 VLRNRKLRNA74 GNLFLVSLAL 84 ANLVVAFYPY94 PLILVAIFYD104 GWAFGEEHCK114 ASAFVMGLSV124 IGSVWNITAI 134 AIDRYLYICH144 SMAYHRIYRR154 WHTPLHICLI164 WLLTVVALLP174 NFFVGSLEYD 184 PRIYSCTFIQ194 TASTQYTAAV204 VVIHFLLPIA214 VVSFCYLRIW224 VLVLQARMKK 1002 YTCTVCGYIY1012 NPEDGDPDNG1022 VNPGTDFKDI1032 PDDWVCPLCG1042 VGKDQFEEVE 1052 CLKPSDLRSF250 LTMFVVFVIF260 AICFAPLNCI270 GLAVAINPQE280 MAPQIPEGLF 290 VTSYLLAYFN300 SCLNPIVYGL310 LDQNFRREYK320 RILLALWN
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of the ligand binding and signaling mechanism of melatonin receptors. Nat Commun. 2022 Jan 24;13(1):454. | ||||
| REF 2 | XFEL structures of the human MT(2) melatonin receptor reveal the basis of subtype selectivity. Nature. 2019 May;569(7755):289-292. | ||||
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