› 6kx3

X-ray diffraction
1.98Å resolution

Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin

Released:
DOI: 10.2210/pdb6kx3/pdb
PDB entry 6kx3 coloured by chain, front view.
PDB entry 6kx3 coloured by chain, side view.
PDB entry 6kx3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Sun Z, Zhang H, Zhang Y, Liao L, Zhou W, Zhang F, Lian F, Huang J, Xu P, Zhang R, Lu W, Zhu M, Tao H, Yang F, Ding H, Chen S, Yue L, Zhou B, Zhang N, Tan M, Jiang H, Chen K, Liu B, Liu C, Dang Y, Luo C
OpenAccess logo Adv Sci (Weinh) 7 2000098 (2020)
PMID: 32714746

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158275 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Transforming protein RhoA Chain: A
Molecule details ›
Chain: A
Length: 181 amino acids
Theoretical weight: 20.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P61586 (Residues: 1-181; Coverage: 94%)
Gene names: ARH12, ARHA, RHO12, RHOA
Sequence domains: Ras family

Ligands and Environments

2 bound ligands:
Ligand GDP 1 x GDP
Ligand 8ZO 1 x 8ZO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U1
Spacegroup: P43212
Unit cell:
a: 91.784Å b: 91.784Å c: 55.813Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.223 0.221 0.268
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Targeting Small GTPases and Their Prenylation in Diabetes Mellitus.
Gendaszewska-Darmach et al. (2021)
2 more

2 mentions without citation

Progress in the therapeutic inhibition of Cdc42 signalling.
Murphy et al. (2021)
1 more