NMR data-driven model of GTPase KRas-GNP tethered to a lipid-bilayer nanodisc

K-RAS isoleucine C -methyl resonances were first tentatively assigned based on
assignments of T35S H-RAS-GMPPNP (BMRB code: 17610), and then remaining
ambiguous assignments were resolved by mutagenesis of isoleucines 21, 36, 100,
139, and 163 to leucine residues.

Proceedings of the National Academy of Sciences of the United States of America
Oncogenic and RASopathy-associated K-RAS mutations relieve membrane-dependent occlusion of the effector-binding site.

Nmr Data-driven Model Of Gtpase Kras-gdp Tethered To A Lipid-bilayer Nanodisc

Nmr Data-driven Model Of Gtpase Kras-gnp:arafrbd Complex Tethered To A Lipid-bilayer Nanodisc

Human K-ras (q61h) In Complex With A Gtp Analogue

Small-Molecule Ligands Bind To A Distinct Pocket In Ras And Inhibit Sos-Mediated Nucleotide Exchange Activity

Discovery Of Small Molecules That Bind To K-Ras And Inhibit Sos- Mediated Activation

Crystal Structure Of K-ras G12c, Gdp-bound

Crystal Structure Of A Gdp-bound G12c Oncogenic Mutant Of Human Gtpase Kras

Crystal Structure Of K-ras Wt, Gdp-bound

Crystal Structure Of K-ras G12c (cysteine-light), Gdp-bound

Crystal Structure Of Small Molecule Disulfide 6 Bound To K-ras G12c

Crystal Structure Of Small Molecule Disulfide 4 Covalently Bound To K- Ras G12c

Crystal Structure Of Small Molecule Vinylsulfonamide 8 Covalently Bound To K-ras G12c

Crystal Structure Of Small Molecule Vinylsulfonamide 9 Covalently Bound To K-ras G12c

Crystal Structure Of Small Molecule Vinylsulfonamide 9 Covalently Bound To K-ras G12c, Alternative Space Group

Crystal Structure Of Small Molecule Vinylsulfonamide 7 Covalently Bound To K-ras G12c

Crystal Structure Of Small Molecule Vinylsulfonamide 13 Covalently Bound To K-ras G12c

Crystal Structure Of Small Molecule Vinylsulfonamide 14 Covalently Bound To K-ras G12c

Crystal Structure Of Small Molecule Vinylsulfonamide Covalently Bound To K-ras G12c

Crystal Structure Of Small Molecule Vinylsulfonamide 15 Covalently Bound To K-ras G12c

Crystal Structure Of Small Molecule Acrylamide 11 Covalently Bound To K-ras G12c

Crystal Structure Of Small Molecule Acrylamide 16 Covalently Bound To K-ras G12c

Crystal Structure Of A G12c Oncogenic Variant Of Human Kras Bound To A Novel Gdp Competitive Covalent Inhibitor

Crystal Structure Of Gdp-bound Human Kras

Second-site Screening Of K-ras In The Presence Of Covalently Attached First-site Ligands

Crystal Structure Of A Gdp-bound G12r Oncogenic Mutant Of Human Gtpase Kras

Crystal Structure Of A Gdp-bound G12v Oncogenic Mutant Of Human Gtpase Kras

Crystal Structure Of A Gdp-bound G13d Oncogenic Mutant Of Human Gtpase Kras

Crystal Structure Of A Gdp-bound Q61l Oncogenic Mutant Of Human Gt- Pase Kras

v-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog [synthetic construct]

PR310 c-K-ras oncogene, partial [Homo sapiens]

PR371 c-K-ras oncogene, partial [Homo sapiens]

c-Ki-ras p21 protein, partial [Homo sapiens]

Ki-ras protein, partial [Rattus norvegicus]

ras-1 protein, partial [Oncorhynchus mykiss]

transforming protein c-Ki-ras-1, hepatic - rainbow trout (fragment)

GTPase KRas precursor [Monodelphis domestica]

uncharacterized protein LOC100505423 [Xenopus laevis]

RecName: Full=GTPase KRas; AltName: Full=Ki-Ras; Short=K-ras; Flags: Precursor

RecName: Full=GTPase KRas; AltName: Full=K-Ras 2; AltName: Full=Ki-Ras; Short=K-ras; Flags: Precursor

RecName: Full=GTPase KRas; AltName: Full=K-Ras 2; AltName: Full=Ki-Ras; AltName: Full=c-K-ras; AltName: Full=c-Ki-ras; Contains

TPA: v-Ki-ras2 Kirsten rat sarcoma viral oncogene homolog [Bos taurus]

This is a hybrid model generated by Haddock docking simulation that is based on
i) NMR data that includes PRE-measurements between lipids (i.e. nanodisc) and the protien (i.e. K-RasGNP)
ii) crystolagraphic information (K-RasGNP) and
iii) theoretical computation (i.e. nanodisc).

All PRE measurements were carrried out on the C-delta of Ile residues.

GTPase KRas-GDP tethered to a lipid-bilayer nanodisc
GTPase KRas-GNP:ARafRBD complex tethered to a lipid-bilayer nanodisc
PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
1,2-distearoyl-sn-glycero-3-phosphoethanolamine-N-diethylenetriaminepentaacetic acid (gadolinium salt)
CNS was used in all structure calculation using Haddock scripts
CHARMM-GUI (S. Jo, T. Kim, V.G. Iyer, and W. Im)
Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax
Brunger, Adams, Clore, Gros, Nilges and Read