Tri-complex of Compound-14, KRAS G12C, and CypA. Determined by X-ray diffraction at 1.26 Å resolution. Released 12 Jun 2024.
Explore 9BFY in 3D Show helices and sheets RCSB PDB PDBe
9BFY contains 19 α-helices and 38 β-strands across 4 chains. 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.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 2-10 | 9 | 1 |
| α-helix | 16-25 | 10 | |
| β-strand | 37-46 | 10 | 1 |
| β-strand | 49-58 | 10 | 1 |
| α-helix | 65-74 | 10 | |
| 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 | 152-168 | 17 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 5-12 | 8 | 3 |
| β-strand | 15-24 | 10 | 3 |
| α-helix | 30-41 | 12 | |
| β-strand | 52 | 1 | 3 |
| β-strand | 55-57 | 3 | 3 |
| β-strand | 61-64 | 4 | 3 |
| β-strand | 77 | 1 | 4 |
| β-strand | 80 | 1 | 4 |
| β-strand | 83 | 1 | 5 |
| β-strand | 97-100 | 4 | 3 |
| β-strand | 108 | 1 | 5 |
| β-strand | 112-115 | 4 | 3 |
| α-helix | 120-122 | 3 | |
| β-strand | 128-132 | 5 | 3 |
| α-helix | 136-143 | 8 | |
| β-strand | 156-163 | 8 | 3 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 2-4 | 3 | |
| β-strand | 5-12 | 8 | 6 |
| β-strand | 15-24 | 10 | 6 |
| α-helix | 30-41 | 12 | |
| β-strand | 52 | 1 | 6 |
| β-strand | 55-57 | 3 | 6 |
| β-strand | 61-64 | 4 | 6 |
| β-strand | 77 | 1 | 7 |
| β-strand | 80 | 1 | 7 |
| β-strand | 83 | 1 | 8 |
| β-strand | 97-100 | 4 | 6 |
| β-strand | 108 | 1 | 8 |
| β-strand | 112-115 | 4 | 6 |
| α-helix | 120-122 | 3 | |
| β-strand | 128-132 | 5 | 6 |
| α-helix | 136-143 | 8 | |
| β-strand | 156-163 | 8 | 6 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| GTPase KRas | A, B | protein | 170 | Homo sapiens | P01116 (AlphaFold model) |
| Peptidyl-prolyl cis-trans isomerase A | C, D | protein | 166 | Homo sapiens | P62937 (AlphaFold model) |
>9BFY_1 GTPase KRas (chains A, B) SMTEYKLVVVGACGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETSLLDILDTA GQEEYSAMRDQYMRTGEGFLLVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKSD LPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK
>9BFY_2 Peptidyl-prolyl cis-trans isomerase A (chains C, D) SMVNPTVFFDIAVDGEPLGRVSFELFADKVPKTAENFRALSTGEKGFGYKGSSFHRIIPG FMCQGGDFTRHNGTGGKSIYGEKFEDENFILKHTGPGILSMANAGPNTNGSQFFICTAKT EWLDGKHVVFGKVKEGMNIVEAMERFGSRNGKTSKKITIADCGQLE
| ID | Name | Formula | Copies |
|---|---|---|---|
| GNP | Phosphoaminophosphonic acid-guanylate ester | C10 H17 N6 O13 P3 | 2 |
| MG | Magnesium ion | Mg | 2 |
| A1AOL | (3R)-N-[(2S)-1-{[(1M,8R,10R,14S,21M)-22-ethyl-4-hydroxy-21-{2-[(1R)-1-methoxyet… | C51 H67 N7 O8 | 2 |
Water and common crystallization additives (CL) are not listed.
Discovery of Elironrasib (RMC-6291), a Potent and Orally Bioavailable, RAS(ON) G12C-Selective, Covalent Tricomplex Inhibitor for the Treatment of Patients with RAS G12C-Addicted Cancers. Cregg, J., Pota, K., Tomlinson, A.C.A. et al. J Med Chem (2025) 68:6041-6063. DOI 10.1021/acs.jmedchem.4c02313 · PubMed
Other PDB entries of the same protein (UniProt P01116 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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