› 4iar

X-ray diffraction
2.7Å resolution

Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target)

Released:
DOI: 10.2210/pdb4iar/pdb
PDB entry 4iar coloured by chain, front view.
PDB entry 4iar coloured by chain, side view.
PDB entry 4iar coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis for molecular recognition at serotonin receptors.
Wang C, Jiang Y, Ma J, Wu H, Wacker D, Katritch V, Han GW, Liu W, Huang XP, Vardy E, McCorvy JD, Gao X, Zhou XE, Melcher K, Zhang C, Bai F, Yang H, Yang L, Jiang H, Roth BL, Cherezov V, Stevens RC, Xu HE
Science 340 610-4 (2013)
PMID: 23519210

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-142054 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
5-hydroxytryptamine receptor 1B; Soluble cytochrome b562 Chain: A
Molecule details ›
Chain: A
Length: 401 amino acids
Theoretical weight: 45.27 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P28222 (Residues: 33-239, 306-390; Coverage: 75%)
  • Canonical: P0ABE7 (Residues: 23-128; Coverage: 100%)
Gene names: HTR1B, HTR1DB, cybC
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ERM 1 x ERM
Ligand OLB 1 x OLB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D, APS BEAMLINE 21-ID-D
Spacegroup: C2
Unit cell:
a: 195.29Å b: 45.5Å c: 74.28Å
α: 90° β: 95.45° γ: 90°
R-values:
R R work R free
0.225 0.223 0.261
Expression system: Spodoptera frugiperda

Quick links

Citations

63 review citations

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

86 mentions without citation

Biased agonism: An emerging paradigm in GPCR drug discovery.
Rankovic et al. (2016)
85 more