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XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin

X-ray diffraction
2.9Å resolution
PDB entry 6me3 coloured by chain, front view.
PDB entry 6me3 coloured by chain, side view.
PDB entry 6me3 coloured by chain, top view.
Source organisms:
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Melatonin receptor type 1A, Starch synthase catalytic domain-containing protein
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Multimeric state: monomeric
Accessible surface area: 21975.74 Å2
Buried surface area: 681.82 Å2
Dissociation area: 321.63 Å2
Dissociation energy (ΔGdiss): -8.23 kcal/mol
Dissociation entropy (TΔSdiss): 3.96 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-155693

Macromolecules

Melatonin receptor type 1A; Starch synthase catalytic domain-containing protein
Chain: A
Length: 503 amino acids
Theoretical weight: 56.6 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P48039 (Residues: 12-218, 228-325; Coverage: 87%)
  • Canonical: Q9V2J8 (Residues: 218-413; Coverage: 45%)
    • nullnull
Gene names: MTNR1A, PAB2292
Pfam:
InterPro:
Melatonin receptor type 1A in PDB entry 6me3, assembly 1, front view.
Melatonin receptor type 1A in PDB entry 6me3, assembly 1, side view.
Melatonin receptor type 1A in PDB entry 6me3, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P48039   Q9V2J8  
150350100150200250300350400450500
 
200400
UniProt
P48039
Q9V2J8
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Domains
Secondary structure
Flexibility predictions
Ligand binding sites
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