› 3ah8

X-ray diffraction
2.9Å resolution

Structure of heterotrimeric G protein Galpha-q beta gamma in complex with an inhibitor YM-254890

Released:
DOI: 10.2210/pdb3ah8/pdb
PDB entry 3ah8 coloured by chain, front view.
PDB entry 3ah8 coloured by chain, side view.
PDB entry 3ah8 coloured by chain, top view.
Source organisms:
Primary publication:
Structural basis for the specific inhibition of heterotrimeric Gq protein by a small molecule.
Nishimura A, Kitano K, Takasaki J, Taniguchi M, Mizuno N, Tago K, Hakoshima T, Itoh H
Proc Natl Acad Sci U S A 107 13666-71 (2010)
PMID: 20639466

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
PDBe Complex ID:
PDB-CPX-145467 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (4 distinct):
Guanine nucleotide-binding protein G(i) subunit alpha-1; Guanine nucleotide-binding protein G(q) subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 355 amino acids
Theoretical weight: 41.43 KDa
Source organisms: Expression system: Trichoplusia ni
UniProt:
  • Canonical: P10824 (Residues: 2-28; Coverage: 8%)
  • Canonical: P21279 (Residues: 37-359; Coverage: 90%)
Gene names: Gnai-1, Gnai1, Gnaq
Sequence domains: G-protein alpha subunit
Structure domains:
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 Chain: B
Molecule details ›
Chain: B
Length: 340 amino acids
Theoretical weight: 37.42 KDa
Source organism: Bos taurus
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P62871 (Residues: 1-340; Coverage: 100%)
Gene name: GNB1
Sequence domains: WD domain, G-beta repeat
Structure domains: YVTN repeat-like/Quinoprotein amine dehydrogenase
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 Chain: G
Molecule details ›
Chain: G
Length: 78 amino acids
Theoretical weight: 8.59 KDa
Source organism: Bos taurus
Expression system: Trichoplusia ni
UniProt:
  • Canonical: P63212 (Residues: 1-71; Coverage: 100%)
Gene name: GNG2
Sequence domains: GGL domain
Structure domains: Transducin (heterotrimeric G protein), gamma chain
YM-254890 Chain: Y
Molecule details ›
Chain: Y
Length: 9 amino acids
Theoretical weight: 962 Da
Source organism: Chromobacterium sp.

Ligands and Environments

1 bound ligand:
Ligand GDP 1 x GDP
4 modified residues:
Ligand HL2 2 x HL2
Ligand OTH 1 x OTH
Ligand THC 1 x THC
Ligand MAA 1 x MAA

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL41XU
Spacegroup: I41
Unit cell:
a: 173.336Å b: 173.336Å c: 60.946Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.262 0.259 0.315
Expression system: Trichoplusia ni

Quick links

Citations

17 review citations

Direct small-molecule inhibitors of KRAS: from structural insights to mechanism-based design.
Ostrem et al. (2016)
16 more

41 mentions without citation

Disorders of the calcium-sensing receptor and partner proteins: insights into the molecular basis of calcium homeostasis.
Hannan et al. (2016)
40 more