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 Dabp-gppnhp Ligand Info
Canonical SMILES C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NP(=O)(NP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C4N=C(NC5=O)N)O)O)O)N
InChI 1S/C23H27N8O13P3/c24-13-8-12(17(32)11-4-2-1-3-5-11)6-7-14(13)29-45(36,37)30-46(38,39)44-47(40,41)42-9-15-18(33)19(34)22(43-15)31-10-26-16-20(31)27-23(25)28-21(16)35/h1-8,10,15,18-19,22,33-34H,9,24H2,(H,40,41)(H3,25,27,28,35)(H4,29,30,36,37,38,39)/t15-,18-,19-,22-/m1/s1
InChIKey MXYGEAAJPIMEHV-CIVUBGFFSA-N
PubChem Compound ID 137349166
Drug Binding Sites of Target  Top
PDB ID: 1CLU      H-RAS COMPLEXED WITH DIAMINOBENZOPHENONE-BETA,GAMMA-IMIDO-GTP
Method X-ray diffraction Resolution 1.70 Å Mutation Yes [1]
PDB Sequence
MTEYKLVVVG
10
APGVGKSALT
20
IQLIQNHFVD
30
EDSYRKQVVI
46
DGETCLLDIL
56

DTAGQEEYSA
66
MRDQYMRTGE
76
GFLCVFAINN
86
TKSFEDIHQY
96
REQIKRVKDS
106

DDVPMVLVGN
116
KCDLAARTVE
126
SRQAQDLARS
136
YGIPYIETSA
146
KTRQGVEDAF
156

YTLVREIRQH
166
Residue
Distance (Å)
ALA11
3.903
PRO12
3.212
GLY13
3.067
VAL14
3.160
GLY15
3.037
LYS16
2.774
SER17
3.027
ALA18
2.812
PHE28
3.241
VAL29
2.677
ASP30
3.294
GLU31
4.105
ASP57
4.701
Residue
Distance (Å)
THR58
4.476
ALA59
4.754
GLY60
3.275
ASN116
3.214
LYS117
3.360
CYS118
4.979
ASP119
2.906
LEU120
3.587
THR144
4.705
SER145
3.455
ALA146
2.804
LYS147
3.467
PDB ID: 1RVD      H-RAS COMPLEXED WITH DIAMINOBENZOPHENONE-BETA,GAMMA-IMIDO-GTP
Method X-ray diffraction Resolution 1.90 Å Mutation Yes [1]
PDB Sequence
MTEYKLVVVG
10
AVGVGKSALT
20
IQLIQNHFVD
30
EDSYRKQVVI
46
DGETCLLDIL
56

DTAGQEEYSA
66
MRDQYMRTGE
76
GFLCVFAINN
86
TKSFEDIHQY
96
REQIKRVKDS
106

DDVPMVLVGN
116
KCDLAARTVE
126
SRQAQDLARS
136
YGIPYIETSA
146
KTRQGVEDAF
156

YTLVREIRQH
166
Residue
Distance (Å)
ALA11
3.914
VAL12
3.338
GLY13
3.184
VAL14
3.246
GLY15
3.045
LYS16
2.845
SER17
3.050
ALA18
2.911
PHE28
3.149
VAL29
2.715
ASP30
2.874
GLU31
3.777
Residue
Distance (Å)
ASP57
4.687
THR58
4.461
ALA59
4.682
GLY60
3.374
ASN116
3.186
LYS117
3.226
ASP119
2.874
LEU120
3.626
THR144
4.813
SER145
3.438
ALA146
2.784
LYS147
3.364
References  Top
REF 1 Guanosine triphosphatase stimulation of oncogenic Ras mutants. Proc Natl Acad Sci U S A. 1999 Jun 8;96(12):7065-70.

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