Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Trifluoroethanol | Ligand Info | |||
| Canonical SMILES | C(C(F)(F)F)O | ||||
| InChI | 1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2 | ||||
| InChIKey | RHQDFWAXVIIEBN-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 6409 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3RS2 H-Ras soaked in 50% 2,2,2-trifluoroethanol: one of 10 in MSCS set | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [1] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHQYREQI100 KRVKDSDDVP 110 MVLVGNKCDL120 AARTVESRQA130 QDLARSYGIP140 YIETSAKTRQ150 GVEDAFYTLV 160 REIRQH
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| PDB ID: 1P2S H-Ras 166 in 50% 2,2,2 triflouroethanol | ||||||
| Method | X-ray diffraction | Resolution | 2.45 Å | Mutation | No | [2] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAG 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHQYREQI100 KRVKDSDDVP 110 MVLVGNKCDL120 AARTVESRQA130 QDLARSYGIP140 YIETSAKTRQ150 GVEDAFYTLV 160 REIRQH
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Analysis of binding site hot spots on the surface of Ras GTPase. J Mol Biol. 2011 Nov 4;413(4):773-89. | ||||
| REF 2 | Organic solvents order the dynamic switch II in Ras crystals. Structure. 2003 Jul;11(7):747-51. | ||||
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