Het-PDB Navi2 (PDB: 5OCT)

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Ligands
Code	Name	Link
9R5	[(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine	PoSSuM
DMS	Dimethyl sulfoxide	PoSSuM
GNP	Phosphoaminophosphonic acid-guanylate ester	PoSSuM
MG	Magnesium ion	PoSSuM
PEG	Di(hydroxyethyl)ether	PoSSuM

Non-standard Residues
Code	Name	Show
CSO	S-hydroxycysteine

Glycosylation
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Download interaction data: 5OCT

Code :

5OCT PDBj RCSB PDB PDBe

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

Chain :

A, B, C, D, E, F

UniProt :

P01116 (RASK_HUMAN)

PDB ID: 5OCT