› 9bho

X-ray diffraction
1.89Å resolution

Crystal structure of KRAS G12S in a transition state mimetic complex with CYPA and RMC-7977

Released:
DOI: 10.2210/pdb9bho/pdb
Model geometry
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PDB entry 9bho coloured by chain, front view.
PDB entry 9bho coloured by chain, side view.
PDB entry 9bho coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pharmacological restoration of GTP hydrolysis by mutant RAS.
Cuevas-Navarro A, Pourfarjam Y, Hu F, Rodriguez DJ, Vides A, Sang B, Fan S, Goldgur Y, de Stanchina E, Lito P
Nature 637 224-229 (2025)
PMID: 39476862

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-280790 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Peptidyl-prolyl cis-trans isomerase A Chains: B, D
Molecule details ›
Chains: B, D
Length: 166 amino acids
Theoretical weight: 18.09 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
GTPase KRas, N-terminally processed Chains: A, C
Molecule details ›
Chains: A, C
Length: 170 amino acids
Theoretical weight: 19.36 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

Ligands and Environments

4 bound ligands:
Ligand ZNI 2 x ZNI
Ligand AF3 2 x AF3
Ligand MG 2 x MG
Ligand GDP 2 x GDP
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: NSLS-II BEAMLINE 17-ID-2
Spacegroup: P212121
Unit cell:
a: 65.292Å b: 83.048Å c: 127.632Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.218
Expression system: Escherichia coli

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Citations

1 citations in other articles

Discover Mutational Differences Between Lung Adenocarcinoma and Lung Squamous Cell Carcinoma and Search for More Effective Biomarkers for Immunotherapy.
Nu Er Lan et al. (2024)

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