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 T96736 Target Info
Target Name Transforming protein RhoA (RHOA)
Synonyms h12; Rho cDNA clone 12; RHO12; ARHA; ARH12
Target Type Discontinued Target
Gene Name RHOA
Biochemical Class Small GTPase
UniProt ID
RHOA_HUMAN
Ligand General Information  Top
Ligand Name Farnesyl Ligand Info
Canonical SMILES CC=C(C)CCC=C(C)CCC=C(C)C
InChI 1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3/b14-6+,15-12+
InChIKey JXBSHSBNOVLGHF-BUJBXKITSA-N
PubChem Compound ID 444108
Drug Binding Sites of Target  Top
PDB ID: 5FR2      Farnesylated RhoA-GDP in complex with RhoGDI-alpha, lysine acetylated at K178
Method X-ray diffraction Resolution 3.35 Å Mutation No [1]
PDB Sequence
MAAIRKKLVI
10
VGDGACGKTC
20
LLIVFSKDQF
30
PEVYVPTVFE
40
NYVADIEVDG
50

KQVELALWDT
60
AGQEDYDRLR
70
PLSYPDTDVI
80
LMCFSIDSPD
90
SLENIPEKWT
100

PEVKHFCPNV
110
PIILVGNKKD
120
LRNDEHTRRE
130
LAKMKQEPVK
140
PEEGRDMANR
150

IGAFGYMECS
160
AKTKDGVREV
170
FEMATRAALQ
180
AKKSGCL
Residue
Distance (Å)
CYS190
1.826
Residue
Distance (Å)
PDB ID: 5ZHX      Crystal structure of SmgGDS-558 and farnesylated RhoA complex
Method X-ray diffraction Resolution 3.50 Å Mutation Yes [2]
PDB Sequence
AIRKKLVIVG
12
DGACGKTCLL
22
IVFSKENYVA
44
DIEVDGKQVE
54
LALWDYDRLR
70

PLSYPDTDVI
80
LMCFSIDSPD
90
SLENIPEKWT
100
PEVKHFCPNV
110
PIILVGNKKD
120

LRNDEHTRRE
130
LAKMKQEPVK
140
PEEGRDMANR
150
IGAFGYMECS
160
AKTKDGVREV
170

FEMATRAALQ
180
ACL
Residue
Distance (Å)
CYS190
1.768
Residue
Distance (Å)
LEU191
4.429
References  Top
REF 1 Structural and Mechanistic Insights into the Regulation of the Fundamental Rho Regulator RhoGDI by Lysine Acetylation. J Biol Chem. 2016 Mar 11;291(11):5484-99.
REF 2 GEF mechanism revealed by the structure of SmgGDS-558 and farnesylated RhoA complex and its implication for a chaperone mechanism. Proc Natl Acad Sci U S A. 2018 Sep 18;115(38):9563-9568.

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