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 T35486 Target Info
Target Name GTPase NRas (NRAS)
Synonyms Transforming protein N-Ras; HRAS1
Target Type Clinical trial Target
Gene Name NRAS
Biochemical Class Small GTPase
UniProt ID
RASN_HUMAN
Ligand General Information  Top
Ligand Name Phosphoaminophosphonic acid-guanylate ester Ligand Info
Canonical SMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
InChI 1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKey UQABYHGXWYXDTK-UUOKFMHZSA-N
PubChem Compound ID 135403657
Drug Binding Sites of Target  Top
PDB ID: 5UHV      wild-type NRas bound to GppNHp
Method X-ray diffraction Resolution 1.67 Å Mutation No [1]
PDB Sequence
MTEYKLVVVG
10
AGGVGKSALT
20
IQLIQNHFVD
30
EYDPTIEDSY
40
RKQVVIDGET
50

CLLDILDTAG
60
QEEYSAMRDQ
70
YMRTGEGFLC
80
VFAINNSKSF
90
ADINLYREQI
100

KRVKDSDDVP
110
MVLVGNKCDL
120
PTRTVDTKQA
130
HELAKSYGIP
140
FIETSAKTRQ
150

GVEDAFYTLV
160
REIRQY
Residue
Distance (Å)
GLY10
4.838
ALA11
3.829
GLY12
3.406
GLY13
3.094
VAL14
3.285
GLY15
3.117
LYS16
2.699
SER17
2.912
ALA18
2.811
PHE28
3.306
VAL29
4.679
ASP30
3.195
GLU31
3.488
TYR32
4.623
ASP33
4.236
PRO34
3.595
Residue
Distance (Å)
THR35
2.951
ASP57
4.687
THR58
4.159
ALA59
3.973
GLY60
2.917
GLN61
4.743
ASN116
3.148
LYS117
3.146
CYS118
4.926
ASP119
2.860
LEU120
3.436
THR144
4.820
SER145
3.530
ALA146
2.835
LYS147
3.465
PDB ID: 6E6H      NRAS G13D bound to GppNHp (N13GNP)
Method X-ray diffraction Resolution 1.99 Å Mutation Yes [2]
PDB Sequence
MTEYKLVVVG
10
AGDVGKSALT
20
IQLIQNHFVD
30
EYDPTIEDSY
40
RKQVVIDGET
50

CLLDILDTYM
72
RTGEGFLCVF
82
AINNSKSFAD
92
INLYREQIKR
102
VKDSDDVPMV
112

LVGNKCDLPT
122
RTVDTKQAHE
132
LAKSYGIPFI
142
ETSAKTRQGV
152
EDAFYTLVRE
162

IRQY
Residue
Distance (Å)
GLY10
4.981
ALA11
3.944
GLY12
3.634
ASP13
3.239
VAL14
3.278
GLY15
3.048
LYS16
2.684
SER17
2.958
ALA18
2.860
PHE28
3.208
VAL29
2.729
ASP30
3.536
GLU31
4.398
Residue
Distance (Å)
THR35
4.561
ASP57
4.807
THR58
4.570
ASN116
3.188
LYS117
3.242
CYS118
4.839
ASP119
2.714
LEU120
3.229
THR144
4.558
SER145
3.420
ALA146
2.857
LYS147
3.633
References  Top
REF 1 The small GTPases K-Ras, N-Ras, and H-Ras have distinct biochemical properties determined by allosteric effects. J Biol Chem. 2017 Aug 4;292(31):12981-12993.
REF 2 Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D. Cell Rep. 2019 Aug 6;28(6):1538-1550.e7.

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