› 3qbv

X-ray diffraction
2.65Å resolution

Structure of designed orthogonal interaction between CDC42 and nucleotide exchange domains of intersectin

Released:
DOI: 10.2210/pdb3qbv/pdb
PDB entry 3qbv coloured by chain, front view.
PDB entry 3qbv coloured by chain, side view.
PDB entry 3qbv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Control of protein signaling using a computationally designed GTPase/GEF orthogonal pair.
Kapp GT, Liu S, Stein A, Wong DT, Reményi A, Yeh BJ, Fraser JS, Taunton J, Lim WA, Kortemme T
Proc Natl Acad Sci U S A 109 5277-82 (2012)
PMID: 22403064

Function and Biology Details

Reaction catalysed: 
GTP + H(2)O = GDP + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158136 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Cell division control protein 42 homolog Chains: A, C
Molecule details ›
Chains: A, C
Length: 178 amino acids
Theoretical weight: 19.78 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P60953 (Residues: 1-178; Coverage: 93%)
Gene name: CDC42
Sequence domains: Ras family
Structure domains: P-loop containing nucleotide triphosphate hydrolases
Intersectin-1 Chains: B, D
Molecule details ›
Chains: B, D
Length: 351 amino acids
Theoretical weight: 40.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q15811 (Residues: 1229-1579; Coverage: 20%)
Gene names: ITSN, ITSN1, SH3D1A
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand GDP 2 x GDP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P21
Unit cell:
a: 85.46Å b: 80.062Å c: 94.591Å
α: 90° β: 108.23° γ: 90°
R-values:
R R work R free
0.246 0.241 0.284
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

17 review citations

Macromolecular modeling and design in Rosetta: recent methods and frameworks.
Leman et al. (2020)
16 more

4 mentions without citation

Structural Mechanisms and Drug Discovery Prospects of Rho GTPases.
Smithers et al. (2016)
3 more