Brand  (β version)

color scheme of protein:

hetatm:

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information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
9R5 [(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine
DMS Dimethyl sulfoxide
GNP Phosphoaminophosphonic acid-guanylate ester
MG Magnesium ion
PEG Di(hydroxyethyl)ether
Modified Residues
Code Name Link
CSO S-hydroxycysteine
Code : 5OCT
Header : HYDROLASE
Title : Discovery of small molecules binding to KRAS via high affinity antibody fragment competition method.
Release Data : 2018-08-22
Compound :
mol_id molecule chains synonym
1 GTPase KRas A,B,C,D,E,F K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
mutation: Q61H
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: KRAS, KRAS2, RASK2
Authors : Cruz-Migoni, A., Ehebauer, M.T., Phillips, S.E.V., Quevedo, C.E., Rabbitts, T.H.
Keywords : Domain antibodies, small molecules, drug fragment screening, HYDROLASE
Exp. method : X-RAY DIFFRACTION ( 2.07 Å )
Citation :

Small molecule inhibitors of RAS-effector protein interactions derived using an intracellular antibody fragment.

Quevedo, C.E.,Cruz-Migoni, A.,Bery, N.  et al.
(2018)  Nat Commun  9 : 3169 - 3169

PubMed: 30093669
DOI: 10.1038/s41467-018-05707-2

Chain : A, B, C, D, E, F
UniProt : P01116 (RASK_HUMAN)
Reaction : -