9BHO: Crystal structure of KRAS G12S in a transition state mimetic complex with CYPA and RMC-7977

PDB ID: 9BHODownload
MMDB ID: 254726
PDB Deposition Date: 2024/4/21
Updated in MMDB: 2024/11
Experimental Method:
x-ray diffraction
Resolution: 1.89  Å
Source Organism:
Similar Structures:
Biological Unit for 9BHO: tetrameric; determined by author
Molecular Components in 9BHO
Label Count Molecule
Proteins (4 molecules)
2
Peptidyl-prolyl Cis-trans Isomerase a
(Gene symbol: PPIA)
Molecule annotation
2
Isoform 2B of Gtpase Kras
(Gene symbol: KRAS)
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
2
(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide(1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
2
2
ALUMINUM FLUORIDEALUMINUM FLUORIDE
3
2
MAGNESIUM IONMAGNESIUM ION
4
2
GUANOSINE-5'-DIPHOSPHATEGUANOSINE-5'-DIPHOSPHATE
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303