Structure of PDB 6me9 Chain B Binding Site BS01

Receptor Information
>6me9 Chain B (length=395) Species: 562,1501,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLED
KSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNA
YIQKYLGDGARPSWVAPALSAVLIVTTAVDVVGNLLVILSVLRNRKLRNA
GNLFLVSLALANLVVAFYPYPLILVAIFYDGWAFGEEHCKASAFVMGLSV
IGSVWNITAIAIDRYLYICHSMAYHRIYRRWHTPLHICLIWLLTVVALLP
NFFVGSLEYDPRIYSCTFIQTASTQYTAAVVVIHFLLPIAVVSFCYLRIW
VLVLQARCLKPSDLRSFLTMFVVFVIFAICFAPLNCIGLAVAINPQEMAP
QIPEGLFVTSYLLAYFNSCLNPIVYGLLDQNFRREYKRILLALWN
Ligand information
Ligand IDJEV
InChIInChI=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
InChIKeyYLXDSYKOBKBWJQ-LBPRGKRZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC(=O)NCCC1CCc2c1c3c(cc2)OCC3
OpenEye OEToolkits 2.0.6CCC(=O)NCC[C@@H]1CCc2c1c3c(cc2)OCC3
CACTVS 3.385CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12
ACDLabs 12.01C(NC(CC)=O)CC3CCc2ccc1OCCc1c23
CACTVS 3.385CCC(=O)NCC[CH]1CCc2ccc3OCCc3c12
FormulaC16 H21 N O2
NameN-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide;
Ramelteon
ChEMBLCHEMBL1218
DrugBankDB00980
ZINCZINC000003960338
PDB chain6me9 Chain B Residue 2201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6me9 XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		G121 I125 N175 F192 V204 L267
Binding residue
(residue number reindexed from 1)		G197 I201 N251 F268 V280 L334
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0005506 iron ion binding
GO:0008502 melatonin receptor activity
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0022900 electron transport chain
GO:0043448 alkane catabolic process
Cellular Component
GO:0016020 membrane
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6me9, PDBe:6me9, PDBj:6me9
PDBsum6me9
PubMed31019305
UniProtP00268|RUBR_CLOPA Rubredoxin;
P0ABE7|C562_ECOLX Soluble cytochrome b562 (Gene Name=cybC);
P49286|MTR1B_HUMAN Melatonin receptor type 1B (Gene Name=MTNR1B)

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