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 T35063 Target Info
Target Name RAS-like protein KIR (GEM)
Synonyms RASlike protein KIR; GTPbinding protein GEM; GTPbinding mitogeninduced Tcell protein
Target Type Clinical trial Target
Gene Name GEM
Biochemical Class Small GTPase superfamily
UniProt ID
GEM_HUMAN
Ligand General Information  Top
Ligand Name Guanosine-5'-Diphosphate Ligand Info
Canonical SMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
InChI 1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey QGWNDRXFNXRZMB-UUOKFMHZSA-N
PubChem Compound ID 135398619
Drug Binding Sites of Target  Top
PDB ID: 2G3Y      Crystal structure of the human small GTPase GEM
Method X-ray diffraction Resolution 2.40 Å Mutation No [1]
PDB Sequence
NTYYRVVLIG
82
EQGVGKSTLA
92
NIFAGVHDSM
102
DSDLGEDTYE
115
RTLMVDGESA
125

TIILLDMWEN
135
KGENEWLHDH
145
CMQVGDAYLI
155
VYSITDRASF
165
EKASELRIQL
175

RRARQTEDIP
185
IILVGNKSDL
195
VRCREVSVSE
205
GRACAVVFDC
215
KFIETSAAVQ
225

HNVKELFEGI
235
VRQVRLRRD
Residue
Distance (Å)
GLU83
3.916
GLN84
3.954
GLY85
3.032
VAL86
3.611
GLY87
3.027
LYS88
2.642
SER89
2.735
THR90
2.553
ASP131
4.683
GLU134
2.323
Residue
Distance (Å)
ASN191
3.141
LYS192
2.951
ASP194
3.021
LEU195
3.072
THR220
4.984
SER221
3.515
ALA222
2.790
ALA223
3.035
VAL224
4.999
PDB ID: 2CJW      Crystal structure of the small GTPase Gem (GemDNDCaM) in complex to Mg.GDP
Method X-ray diffraction Resolution 2.10 Å Mutation No [2]
PDB Sequence
> Chain A
MTYYRVVLIG
82
EQGVGKSTLA
92
NIFAGVHDSE
107
VLGEDTYERT
117
LMVDGESATI
127

ILLDMWENEW
141
LHDHCMQVGD
151
AYLIVYSITD
161
RASFEKASEL
171
RIQLRRARQT
181

EDIPIILVGN
191
KSDLVRREVS
202
VSEGRAAVVF
213
DKFIETSAAV
224
QHNVKELFEG
234

IVRQVRLRRD
244
SKEKNERRLA
254
YQKR
> Chain B
EFGMTYYRVV
79
LIGEQGVGKS
89
TLANIFAGVE
111
DTYERTLMVD
121
GESATIILLD
131

MWENHDHMQV
149
GDAYLIVYSI
159
TDRASFEKAS
169
ELRIQLRRAR
179
QTEDIPIILV
189

GNKSDLVRRE
200
VSVSEGRAAV
211
VFDCKFIETS
221
AAVQHNVKEL
231
FEGIVRQVRL
241

RRDSKEKNER
251
RLAYQKRKES
261
Residue [Chain]
Distance (Å)
GLU83[A]
3.890
GLN84[A]
3.694
GLY85[A]
2.708
VAL86[A]
3.327
GLY87[A]
3.089
LYS88[A]
2.731
SER89[A]
3.004
THR90[A]
2.726
ASP131[A]
4.747
GLU134[A]
4.875
ASN191[A]
3.201
LYS192[A]
3.112
SER193[A]
4.818
ASP194[A]
2.770
LEU195[A]
3.403
THR220[A]
4.642
SER221[A]
3.276
ALA222[A]
2.960
ALA223[A]
3.273
Residue [Chain]
Distance (Å)
GLU83[B]
3.684
GLN84[B]
3.723
GLY85[B]
2.784
VAL86[B]
3.369
GLY87[B]
3.033
LYS88[B]
2.643
SER89[B]
2.994
THR90[B]
2.785
ASP131[B]
4.730
ASN191[B]
3.008
LYS192[B]
3.223
SER193[B]
4.878
ASP194[B]
2.634
LEU195[B]
3.462
THR220[B]
4.415
SER221[B]
3.437
ALA222[B]
2.607
ALA223[B]
3.240
PDB ID: 2HT6      Crystal structure of Human Gem G-domain bound to GDP
Method X-ray diffraction Resolution 2.40 Å Mutation No [3]
PDB Sequence
GNTYYRVVLI
81
GEQGVGKSTL
91
ANIFAGVDSD
105
CEVLGEDTYE
115
RTLMVDGESA
125

TIILLDMWEN
135
KNEWLHDHCM
147
QVGDAYLIVY
157
SITDRASFEK
167
ASELRIQLRR
177

ARQTEDIPII
187
LVGNKSDLVR
197
CREVSVSEGR
207
ACAVVFDCKF
217
IETSAAVQHN
227

VKELFEGIVR
237
QVRLRR
Residue
Distance (Å)
GLU83
4.020
GLN84
3.735
GLY85
2.746
VAL86
3.426
GLY87
3.072
LYS88
2.793
SER89
2.796
THR90
2.693
ASP131
4.797
Residue
Distance (Å)
ASN191
2.929
LYS192
3.361
SER193
4.807
ASP194
2.668
LEU195
3.327
THR220
4.675
SER221
3.371
ALA222
2.813
ALA223
3.194
References  Top
REF 1 Crystal structure of the human small GTPase GEM
REF 2 Biochemical and structural characterization of the gem GTPase. J Biol Chem. 2007 Jan 19;282(3):1905-15.
REF 3 Structure-function studies of the G-domain from human gem, a novel small G-protein. FEBS Lett. 2006 Oct 30;580(25):5959-64.

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