› 4ib4

X-ray diffraction
2.7Å resolution

Crystal structure of the chimeric protein of 5-HT2B-BRIL in complex with ergotamine

Released:
DOI: 10.2210/pdb4ib4/pdb
PDB entry 4ib4 coloured by chain, front view.
PDB entry 4ib4 coloured by chain, side view.
PDB entry 4ib4 coloured by chain, top view.
Source organisms:
Primary publication:
Structural features for functional selectivity at serotonin receptors.
Wacker D, Wang C, Katritch V, Han GW, Huang XP, Vardy E, McCorvy JD, Jiang Y, Chu M, Siu FY, Liu W, Xu HE, Cherezov V, Roth BL, Stevens RC
Science 340 615-9 (2013)
PMID: 23519215

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-142091 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
5-hydroxytryptamine receptor 2B; Soluble cytochrome b562 Chain: A
Molecule details ›
Chain: A
Length: 430 amino acids
Theoretical weight: 48.28 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P41595 (Residues: 36-248, 314-405; Coverage: 63%)
  • Canonical: P0ABE7 (Residues: 23-128; Coverage: 100%)
Gene names: HTR2B, cybC
Sequence domains:
Structure domains:

Ligands and Environments

7 bound ligands:
Ligand ERM 1 x ERM
Ligand PLM 1 x PLM
Ligand CLR 1 x CLR
Ligand OLC 1 x OLC
Ligand OLB 3 x OLB
Ligand OLA 2 x OLA
Ligand PEG 2 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: C2221
Unit cell:
a: 60.571Å b: 119.75Å c: 170.607Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.226 0.224 0.266
Expression system: Spodoptera frugiperda

Quick links

Citations

106 review citations

DREADDs for Neuroscientists.
Roth BL. (2016)
105 more

118 mentions without citation

How Ligands Illuminate GPCR Molecular Pharmacology.
Wacker et al. (2017)
117 more