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 Mecysteine Ligand Info
Canonical SMILES COC(=O)C(CS)N
InChI 1S/C4H9NO2S/c1-7-4(6)3(5)2-8/h3,8H,2,5H2,1H3/t3-/m0/s1
InChIKey MCYHPZGUONZRGO-VKHMYHEASA-N
PubChem Compound ID 29145
Drug Binding Sites of Target  Top
PDB ID: 5TAR      Crystal structure of farnesylated and methylated kras4b in complex with PDE-delta (crystal form II - with ordered hypervariable region)
Method X-ray diffraction Resolution 1.90 Å Mutation No [1]
PDB Sequence
GTEYKLVVVG
10
AGGVGKSALT
20
IQLIQNHFVD
30
EYDPTIEDSY
40
RKQVVIDGET
50

CLLDILDTAG
60
QEEYSAMRDQ
70
YMRTGEGFLC
80
VFAINNTKSF
90
EDIHHYREQI
100

KRVKDSEDVP
110
MVLVGNKCDL
120
PSRTVDTKQA
130
QDLARSYGIP
140
FIETSAKTRQ
150

GVDDAFYTLV
160
REIRKHKEKM
170
SKDGKKKKKK
180
SKTK
Residue
Distance (Å)
THR183
2.844
Residue
Distance (Å)
LYS184
1.276
PDB ID: 5TB5      Crystal structure of full-length farnesylated and methylated KRAS4b in complex with PDE-delta (crystal form I - with partially disordered hypervariable region)
Method X-ray diffraction Resolution 2.00 Å Mutation No [1]
PDB Sequence
GTEYKLVVVG
10
AGGVGKSALT
20
IQLIQNHFDS
39
YRKQVVIDGE
49
TCLLDILDTA
59

GQEEYSAMRD
69
QYMRTGEGFL
79
CVFAINNTKS
89
FEDIHHYREQ
99
IKRVKDSEDV
109

PMVLVGNKCD
119
LPSRTVDTKQ
129
AQDLARSYGI
139
PFIETSAKTR
149
QGVDDAFYTL
159

VREIRKHKEK
169
MSKDKKKKSK
182
TK
Residue
Distance (Å)
SER181
3.846
THR183
3.052
Residue
Distance (Å)
LYS184
1.327
References  Top
REF 1 Structural basis of recognition of farnesylated and methylated KRAS4b by PDE-Delta. Proc Natl Acad Sci U S A. 2016 Nov 1;113(44):E6766-E6775.

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