Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T48598 Target Info
Target Name GTPase KRas (KRAS)
Synonyms c-Ki-ras; c-K-ras; RASK2; Ki-Ras; KRAS2; K-Ras 2
Target Type Clinical trial Target
Gene Name KRAS
Biochemical Class Small GTPase
UniProt ID
RASK_HUMAN
Ligand General Information  Top
Ligand Name [(3,7,11-Trimethyl-dodeca-2,6,10-trienyloxycarbamoyl)-methyl]-phosphonic acid Ligand Info
Canonical SMILES CC(=CCCC(=CCCC(=CCONC(=O)CP(=O)(O)O)C)C)C
InChI 1S/C17H30NO5P/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-23-18-17(19)13-24(20,21)22/h7,9,11H,5-6,8,10,12-13H2,1-4H3,(H,18,19)(H2,20,21,22)/b15-9+,16-11+
InChIKey JAOBYUCYSAOLHS-XGGJEREUSA-N
PubChem Compound ID 445015
Drug Binding Sites of Target  Top
PDB ID: 1D8D      CO-CRYSTAL STRUCTURE OF RAT PROTEIN FARNESYLTRANSFERASE COMPLEXED WITH A K-RAS4B PEPTIDE SUBSTRATE AND FPP ANALOG AT 2.0A RESOLUTION
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
KKKSKTKCVI
10
M
Residue
Distance (Å)
VAL9
3.998
Residue
Distance (Å)
ILE10
3.629
PDB ID: 1D8E      Zinc-depleted FTase complexed with K-RAS4B peptide substrate and FPP analog.
Method X-ray diffraction Resolution 3.00 Å Mutation No [1]
PDB Sequence
TKCVIM
Residue
Distance (Å)
VAL9
4.214
Residue
Distance (Å)
ILE10
3.664
References  Top
REF 1 The basis for K-Ras4B binding specificity to protein farnesyltransferase revealed by 2 A resolution ternary complex structures. Structure. 2000 Feb 15;8(2):209-22.

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