Binding Site Information of Target

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Target 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
Drug Binding Sites of Target  Top
Ligand Name: Guanosine-5'-Diphosphate Ligand Info
Structure Description CRYSTAL STRUCTURE OF NRAS (C118S) IN COMPLEX WITH GDP PDB:6ZIO
Method X-ray diffraction Resolution 1.55 Å Mutation Yes [1]
PDB Sequence
GMTEYKLVVV
9
GAGGVGKSAL
19
TIQLIQNHFV
29
DEYDPTIEDS
39
YRKQVVIDGE
49

TCLLDILDTA
59
GQEEYSAMRD
69
QYMRTGEGFL
79
CVFAINNSKS
89
FADINLYREQ
99

IKRVKDSDDV
109
PMVLVGNKSD
119
LPTRTVDTKQ
129
AHELAKSYGI
139
PFIETSAKTR
149

QGVEDAFYTL
159
VREIRQYRMK
169
K
Residue
Distance (Å)
ALA11
3.727
GLY12
3.859
GLY13
2.850
VAL14
3.254
GLY15
3.070
LYS16
2.775
SER17
3.046
ALA18
2.897
PHE28
3.264
VAL29
2.727
ASP30
2.698
GLU31
4.288
Residue
Distance (Å)
TYR32
3.724
PRO34
4.736
ASP57
4.611
ASN116
3.129
LYS117
3.129
SER118
4.910
ASP119
2.741
LEU120
3.486
THR144
4.728
SER145
3.345
ALA146
2.773
LYS147
3.409
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Ligand Name: Guanosine-5'-Triphosphate Ligand Info
Structure Description Crystal structure of N-ras S89D PDB:7F68
Method X-ray diffraction Resolution 1.24 Å Mutation Yes [2]
PDB Sequence
MTEYKLVVVG
10
AGGVGKSALT
20
IQLIQNHFVD
30
EYDPTIEDSY
40
RKQVVIDGET
50

CLLDILDTAG
60
REEYSAMRDQ
70
YMRTGEGFLC
80
VFAINNSKDF
90
ADINLYREQI
100

KRVKDSDDVP
110
MVLVGNKCDL
120
PTRTVDTKQA
130
HELAKSYGIP
140
FIETSAKTRQ
150

GVEDAFYTLV
160
REIRQYRMK
Residue
Distance (Å)
GLY10
4.657
ALA11
3.918
GLY12
3.575
GLY13
3.021
VAL14
3.247
GLY15
2.997
LYS16
2.628
SER17
2.971
ALA18
2.780
LEU19
4.978
PHE28
3.507
VAL29
3.824
ASP30
3.354
GLU31
3.126
TYR32
2.573
ASP33
4.306
Residue
Distance (Å)
PRO34
3.917
THR35
2.853
ASP57
4.730
THR58
4.059
ALA59
3.894
GLY60
2.779
ARG61
4.086
ASN116
3.150
LYS117
3.150
CYS118
4.801
ASP119
2.803
LEU120
3.584
THR144
4.677
SER145
3.475
ALA146
2.875
LYS147
3.651
Click to View More Binding Site Information of This Target and Ligand Pair
Ligand Name: (3~{S})-3-[2-[(dimethylamino)methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one Ligand Info
Structure Description CRYSTAL STRUCTURE OF NRAS Q61R IN COMPLEX WITH GTP AND COMPOUND 18 PDB:6ZIZ
Method X-ray diffraction Resolution 1.78 Å Mutation Yes [1]
PDB Sequence
MTEYKLVVVG
10
AGGVGKSALT
20
IQLIQNHFVD
30
EYDPTIEDSY
40
RKQVVIDGET
50

CLLDILDTAG
60
REEYSAMRDQ
70
YMRTGEGFLC
80
VFAINNSKSF
90
ADINLYREQI
100

KRVKDSDDVP
110
MVLVGNKSDL
120
PTRTVDTKQA
130
HELAKSYGIP
140
FIETSAKTRQ
150

GVEDAFYTLV
160
REIRQYRMKK
170
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EZZ or .EZZ2 or .EZZ3 or :3EZZ;style chemicals stick;color identity;select .A:5 or .A:6 or .A:7 or .A:37 or .A:39 or .A:40 or .A:41 or .A:54 or .A:55 or .A:56 or .A:67 or .A:70 or .A:71 or .A:74 or .A:75 or .A:76 or .A:77; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
LYS5
2.527
LEU6
3.026
VAL7
2.116
GLU37
1.575
SER39
2.331
TYR40
4.780
ARG41
3.041
ASP54
2.014
ILE55
3.736
Residue
Distance (Å)
LEU56
2.567
MET67
4.045
GLN70
2.211
TYR71
2.675
THR74
2.568
GLY75
2.476
GLU76
3.832
GLY77
4.823
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Ligand Name: Phosphoaminophosphonic acid-guanylate ester Ligand Info
Structure Description wild-type NRas bound to GppNHp PDB:5UHV
Method X-ray diffraction Resolution 1.67 Å Mutation No [3]
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
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GNP or .GNP2 or .GNP3 or :3GNP;style chemicals stick;color identity;select .A:10 or .A:11 or .A:12 or .A:13 or .A:14 or .A:15 or .A:16 or .A:17 or .A:18 or .A:28 or .A:29 or .A:30 or .A:31 or .A:32 or .A:33 or .A:34 or .A:35 or .A:57 or .A:58 or .A:59 or .A:60 or .A:61 or .A:116 or .A:117 or .A:118 or .A:119 or .A:120 or .A:144 or .A:145 or .A:146 or .A:147; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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
Click to View More Binding Site Information of This Target and Ligand Pair
References  Top
REF 1 Drugging all RAS isoforms with one pocket. Future Med Chem. 2020 Nov;12(21):1911-1923.
REF 2 Crystal structure of N-ras S89D
REF 3 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.

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