› 6me6

X-ray diffraction
2.8Å resolution

XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin

Released:
DOI: 10.2210/pdb6me6/pdb
PDB entry 6me6 coloured by chain, front view.
PDB entry 6me6 coloured by chain, side view.
PDB entry 6me6 coloured by chain, top view.
Source organisms:
Primary publication:
XFEL structures of the human MT2 melatonin receptor reveal the basis of subtype selectivity.
Johansson LC, Stauch B, McCorvy JD, Han GW, Patel N, Huang XP, Batyuk A, Gati C, Slocum ST, Li C, Grandner JM, Hao S, Olsen RHJ, Tribo AR, Zaare S, Zhu L, Zatsepin NA, Weierstall U, Yous S, Stevens RC, Liu W, Roth BL, Katritch V, Cherezov V
Nature 569 289-292 (2019)
PMID: 31019305

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132348 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Melatonin receptor type 1B; Rubredoxin; Soluble cytochrome b562 Chains: A, B
Molecule details ›
Chains: A, B
Length: 460 amino acids
Theoretical weight: 51.51 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P0ABE7 (Residues: 23-128; Coverage: 100%)
  • Canonical: P49286 (Residues: 35-231, 241-340; Coverage: 82%)
  • Canonical: P00268 (Residues: 1-53; Coverage: 98%)
Gene names: MTNR1B, cybC
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand JEY 2 x JEY
Ligand ZN 1 x ZN
Ligand OLC 1 x OLC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLAC LCLS BEAMLINE CXI
Spacegroup: P21
Unit cell:
a: 69.5Å b: 146.18Å c: 77.28Å
α: 90° β: 111.72° γ: 90°
R-values:
R R work R free
0.22 0.219 0.249
Expression system: Spodoptera frugiperda

Quick links

Citations

12 review citations

Cardioprotective Melatonin: Translating from Proof-of-Concept Studies to Therapeutic Use.
Baltatu et al. (2019)
11 more

18 mentions without citation

G protein-coupled receptors: structure- and function-based drug discovery.
Yang et al. (2021)
17 more