Structure of PDB 6me9 Chain A Binding Site BS02

Receptor Information
>6me9 Chain A (length=448) 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
VLVLQARMKKYTCTVCGYIYNPEDGDPDNGVNPGTDFKDIPDDWVCPLCG
VGKDQFEEVECLKPSDLRSFLTMFVVFVIFAICFAPLNCIGLAVAINPQE
MAPQIPEGLFVTSYLLAYFNSCLNPIVYGLLDQNFRREYKRILLALWN
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain6me9 Chain A Residue 2202 [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)		C1005 C1008 C1038 C1041
Binding residue
(residue number reindexed from 1)		C313 C316 C346 C349
Annotation score4
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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