› 6wh4

X-ray diffraction
3.4Å resolution

Crystal structure of HTR2A with inverse agonist

Released:
DOI: 10.2210/pdb6wh4/pdb
PDB entry 6wh4 coloured by chain, front view.
PDB entry 6wh4 coloured by chain, side view.
PDB entry 6wh4 coloured by chain, top view.
Source organisms:
Primary publication:
Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor
Kim KL, Che T, Panova O, DiBerto JF, Lyu J, Krumm BE, Wacker D, Robertson MJ, Seven AB, Nichols DE, Shoichet BK, Skiniotis G, Roth BL
Cell 182 1574-1588 (2020)

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-142057 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
5-hydroxytryptamine receptor 2A; Soluble cytochrome b562 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 448 amino acids
Theoretical weight: 50.53 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P28223 (Residues: 66-265, 311-405; Coverage: 63%)
  • Canonical: P0ABE7 (Residues: 23-128; Coverage: 100%)
Gene names: HTR2, HTR2A, cybC
Sequence domains:

Ligands and Environments

6 bound ligands:
Ligand 89F 3 x 89F
Ligand OLA 4 x OLA
Ligand CLR 2 x CLR
Ligand PEG 4 x PEG
Ligand NDS 1 x NDS
Ligand 1PE 1 x 1PE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: C2221
Unit cell:
a: 82.38Å b: 177.31Å c: 280.59Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.26 0.258 0.304
Expression system: Spodoptera frugiperda

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