› 6me3

X-ray diffraction
2.9Å resolution

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

Released:
DOI: 10.2210/pdb6me3/pdb
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:
Primary publication:
Structural basis of ligand recognition at the human MT1 melatonin receptor.
Stauch B, Johansson LC, McCorvy JD, Patel N, Han GW, Huang XP, Gati C, Batyuk A, Slocum ST, Ishchenko A, Brehm W, White TA, Michaelian N, Madsen C, Zhu L, Grant TD, Grandner JM, Shiriaeva A, Olsen RHJ, Tribo AR, Yous S, Stevens RC, Weierstall U, Katritch V, Roth BL, Liu W, Cherezov V
Nature 569 284-288 (2019)
PMID: 31019306

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155693 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Melatonin receptor type 1A; Starch synthase catalytic domain-containing protein Chain: A
Molecule details ›
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%)
Gene names: MTNR1A, PAB2292
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand JEY 1 x JEY
Ligand OLA 1 x OLA
Ligand PEG 1 x PEG
1 modified residue:
Ligand YCM 1 x YCM

Experiments and Validation Details

Entry percentile scores
X-ray source: SLAC LCLS BEAMLINE CXI
Spacegroup: P4212
Unit cell:
a: 122.4Å b: 122.4Å c: 122.9Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.203 0.229
Expression system: Spodoptera frugiperda

Quick links

Citations

16 review citations

Circadian rhythm as a therapeutic target.
Ruan et al. (2021)
15 more

16 mentions without citation

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