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 T71081 Target Info
Target Name GTPase HRas (HRAS)
Synonyms p21ras; cHras; c-H-ras; Transforming protein p21; HaRas; Ha-Ras; H-Ras-1; GTPase HRas, Nterminally processed
Target Type Literature-reported Target
Gene Name HRAS
Biochemical Class Small GTPase
UniProt ID
RASH_HUMAN
Ligand General Information  Top
Ligand Name 5'-Guanosine-Diphosphate-Monothiophosphate Ligand Info
Canonical SMILES C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N=C(NC2=O)N
InChI 1S/C10H16N5O13P3S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(26-9)1-25-29(19,20)27-30(21,22)28-31(23,24)32/h2-3,5-6,9,16-17H,1H2,(H,19,20)(H,21,22)(H2,23,24,32)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKey XOFLBQFBSOEHOG-UUOKFMHZSA-N
PubChem Compound ID 135398675
Drug Binding Sites of Target  Top
PDB ID: 7L0F      Monobody 12VC3 Bound to HRAS(WT)
Method X-ray diffraction Resolution 1.98 Å Mutation No [1]
PDB Sequence
MTEYKLVVVG
10
AGGVGKSALT
20
IQLIQNHFVD
30
EYDPTIEDSY
40
RKQVVIDGET
50

CLLDILDTAG
60
QEEYSAMRDQ
70
YMRTGEGFLC
80
VFAINNTKSF
90
EDIHQYREQI
100

KRVKDSDDVP
110
MVLVGNKCDL
120
AARTVESRQA
130
QDLARSYGIP
140
YIETSAKTRQ
150

GVEDAFYTLV
160
REIRQH
Residue
Distance (Å)
GLY10
4.900
ALA11
4.093
GLY12
3.853
GLY13
2.995
VAL14
3.215
GLY15
2.997
LYS16
2.511
SER17
2.883
ALA18
2.764
LEU19
4.934
PHE28
3.264
VAL29
2.686
ASP30
2.805
GLU31
3.698
TYR32
3.128
ASP33
4.363
Residue
Distance (Å)
PRO34
3.683
THR35
2.798
ASP57
4.601
THR58
4.147
ALA59
3.980
GLY60
3.152
ASN116
3.081
LYS117
3.381
CYS118
4.860
ASP119
2.790
LEU120
3.662
THR144
4.586
SER145
3.350
ALA146
2.937
LYS147
3.600
PDB ID: 7L0G      Monobody 12VC1 Bound to HRAS(G12C)
Method X-ray diffraction Resolution 2.54 Å Mutation Yes [1]
PDB Sequence
MTEYKLVVVG
10
ACGVGKSALT
20
IQLIQNHFVD
30
EYDPTIEDSY
40
RKQVVIDGET
50

CLLDILDTAG
60
QEEYSAMRDQ
70
YMRTGEGFLC
80
VFAINNTKSF
90
EDIHQYREQI
100

KRVKDSDDVP
110
MVLVGNKCDL
120
AARTVESRQA
130
QDLARSYGIP
140
YIETSAKTRQ
150

GVEDAFYTLV
160
REIRQH
Residue
Distance (Å)
GLY10
4.934
ALA11
3.839
CYS12
4.002
GLY13
3.302
VAL14
3.390
GLY15
3.123
LYS16
2.593
SER17
2.888
ALA18
2.816
LEU19
4.986
PHE28
3.671
VAL29
2.755
ASP30
3.223
GLU31
3.907
TYR32
2.726
ASP33
4.503
Residue
Distance (Å)
PRO34
3.728
THR35
2.857
ASP57
4.397
THR58
3.988
ALA59
3.899
GLY60
2.854
ASN116
3.109
LYS117
3.340
CYS118
4.806
ASP119
2.786
LEU120
3.961
THR144
4.835
SER145
3.418
ALA146
2.942
LYS147
3.634
References  Top
REF 1 Selective and noncovalent targeting of RAS mutants for inhibition and degradation. Nat Commun. 2021 May 11;12(1):2656.

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