9IAY: GTPase KRas

Structure of 10 in complex with GDP-KRAS. Determined by X-ray diffraction at 0.95 Å resolution. Released 6 Aug 2025.

Method: X-ray diffraction
Resolution: 0.95 Å
Organism: Homo sapiens
Chains: 1
Atoms: 1,728
Mol. weight: 20.29 kDa
Ligands: WYU, MG, GDP
Released: 6 Aug 2025

Explore 9IAY in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9IAY contains 6 α-helices and 6 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 6 helices, 6 β-strands

Element	Residues	Length	Sheet
β-strand	3-9	7	1
α-helix	16-25	10
β-strand	38-46	9	1
β-strand	49-57	9	1
α-helix	66-73	8
β-strand	77-83	7	1
α-helix	87-91	5
α-helix	93-104	12
β-strand	111-116	6	1
α-helix	127-137	11
β-strand	141-143	3	1
α-helix	152-166	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
GTPase KRas	A	protein	170	Homo sapiens	P01116 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>9IAY_1 GTPase KRas (chains A)
GMTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTA
GQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSD
LPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK

Ligands and cofactors

ID	Name	Formula	Copies
WYU	(4S)-2-azanyl-4-methyl-4-[3-[2-[(2S)-2-methyl-1,4-diazepan-1-yl]pyrimidin-4-yl]…	C22 H26 N8 O S	1
MG	Magnesium ion	Mg	1
GDP	Guanosine-5'-diphosphate	C10 H15 N5 O11 P2	1

Water and common crystallization additives (EDO) are not listed.

Primary citation

Discovery of BI-2493, a Pan-KRAS Inhibitor Showing In Vivo Efficacy. Broker, J., Waterson, A.G., Hodges, T.R. et al. J Med Chem (2025) 68:15649-15668. DOI 10.1021/acs.jmedchem.5c00576 · PubMed

Other PDB entries of the same protein (UniProt P01116 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9IAW 1.0 Å, Structure of 5 in complex with GDP-KRAS
12XE 1.01 Å, Crystal structure of KRAS(Q61K) bound to GppNHp and ligand
8ONV 1.01 Å, KRAS-G13D in complex with BI-2493
6P0Z 1.01 Å, Crystal structure of N-acetylated KRAS (2-169) bound to GDP and Mg
9IB5 1.01 Å, Structure of 18 (BI-2493) in complex with GDP-KRAS
8AZZ 1.02 Å, KRAS-G12V in complex with BI-2865
8AZX 1.04 Å, KRAS-G12C in complex with BI-2865
8B00 1.04 Å, KRAS-G13D in complex with BI-2865
8TVK 1.04 Å, KRAS 1-169 G12C Mutant at 100k
4QL3 1.04 Å, Crystal Structure of a GDP-bound G12R Oncogenic Mutant of Human GTPase KRas
8AZV 1.05 Å, KRAS in complex with BI-2865
9IB4 1.06 Å, Structure of 12 in complex with GDP-KRAS

Browse structure collections

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