› 9bg1

X-ray diffraction
1.51Å resolution

Tri-complex of Compound-3, KRAS G12V, and CypA

Released:
DOI: 10.2210/pdb9bg1/pdb
PDB entry 9bg1 coloured by chain, front view.
PDB entry 9bg1 coloured by chain, side view.
PDB entry 9bg1 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Tomlinson ACA, Saldajeno-Concar M, Knox JE, Yano JK

Function and Biology Details

Reactions catalysed: 
GTP + H(2)O = GDP + phosphate
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-227104 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
GTPase KRas, N-terminally processed; Isoform 2B of GTPase KRas Chains: A, B
Molecule details ›
Chains: A, B
Length: 170 amino acids
Theoretical weight: 19.4 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01116 (Residues: 1-169; Coverage: 89%)
  • Best match: P01116-2 (Residues: 1-169)
Gene names: KRAS, KRAS2, RASK2
Sequence domains: Ras family
Peptidyl-prolyl cis-trans isomerase A Chains: C, D
Molecule details ›
Chains: C, D
Length: 166 amino acids
Theoretical weight: 18.12 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P62937 (Residues: 1-165; Coverage: 100%)
Gene names: CYPA, PPIA
Sequence domains: Cyclophilin type peptidyl-prolyl cis-trans isomerase/CLD

Ligands and Environments

3 bound ligands:
Ligand GNP 2 x GNP
Ligand MG 2 x MG
Ligand A1AOH 2 x A1AOH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL14-1
Spacegroup: P21
Unit cell:
a: 47.996Å b: 104.704Å c: 66.256Å
α: 90° β: 90.86° γ: 90°
R-values:
R R work R free
0.189 0.187 0.226
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Evaluation of KRAS inhibitor-directed therapies for pancreatic cancer treatment.
Long et al. (2024)