› 5yxz

X-ray diffraction
1.7Å resolution

Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI484

Released:
DOI: 10.2210/pdb5yxz/pdb
PDB entry 5yxz coloured by chain, front view.
PDB entry 5yxz coloured by chain, side view.
PDB entry 5yxz coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Swaminathan S, Thakur MK, Kandan S, Gautam A, Kanavalli M, Simhadri P, Gosu R

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-133991 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
GTPase KRas, N-terminally processed Chain: A
Molecule details ›
Chain: A
Length: 170 amino acids
Theoretical weight: 19.35 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P01116 (Residues: 1-169; Coverage: 89%)
Gene names: KRAS, KRAS2, RASK2
Sequence domains: Ras family
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

4 bound ligands:
Ligand MG 1 x MG
Ligand GDP 1 x GDP
Ligand 94C 1 x 94C
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 41.604Å b: 53.089Å c: 69.106Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.2 0.237
Expression system: Escherichia coli

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