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 | Cysteine Sulfenic Acid | Ligand Info | |||
| Canonical SMILES | C(C(C(=O)O)N)SO | ||||
| InChI | 1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | ||||
| InChIKey | FXIRVRPOOYSARH-REOHCLBHSA-N | ||||
| PubChem Compound ID | 165339 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6V9M Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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| PDB ID: 6V9N Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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| PDB ID: 6D55 Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [2] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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| PDB ID: 6D56 Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | No | [2] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6D59 Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [2] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6D5L Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [2] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| PDB ID: 6V9L Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods | ||||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6CUO Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | Yes | [3] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6CUR Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | Yes | [3] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6BVI Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [4] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6BVJ Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [4] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEYSAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6BVL Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [4] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6D5E Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [2] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160 or .A:164; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6D5J Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [2] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6V9J Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods | ||||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [1] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6BVK Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [4] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6BVM Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [4] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6D5H Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| PDB ID: 6V94 Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [1] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6V9O Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods | ||||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [5] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6CUP Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | Yes | [3] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 1XCM Crystal structure of the GppNHp-bound H-Ras G60A mutant | ||||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | Yes | [6] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 CLLDILDTAA 60 QEEYSAMRDQ70 YMRTGEGFLC80 VFAINNTKSF90 EDIHQYREQI100 KRVKDSDDVP 110 MVLVGNKDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQHK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:84 or .A:115 or .A:116 or .A:117 or .A:119 or .A:120 or .A:123 or .A:143 or .A:144 or .A:145 or .A:150; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| PDB ID: 6V9F Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods | ||||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [1] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| PDB ID: 6D5G Ras:SOS:Ras in complex with a small molecule activator | ||||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [2] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGQ 61 EEASAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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| PDB ID: 1ZW6 Crystal Structure of the GTP-bound form of RasQ61G | ||||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [7] |
| PDB Sequence |
MTEYKLVVVG
10 AGGVGKSALT20 IQLIQNHFVD30 EYDPTIEDSY40 RKQVVIDGET50 LLDILDTAGG 61 EEYSAMRDQY71 MRTGEGFLCV81 FAINNTKSFE91 DIHQYREQIK101 RVKDSDDVPM 111 VLVGNKCDLA121 ARTVESRQAQ131 DLARSYGIPY141 IETSAKTRQG151 VEDAFYTLVR 161 EIRQH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CSO or .CSO2 or .CSO3 or :3CSO;style chemicals stick;color identity;select .A:1 or .A:2 or .A:4 or .A:42 or .A:43 or .A:44 or .A:45 or .A:46 or .A:49 or .A:50 or .A:52 or .A:53 or .A:160 or .A:164; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. J Med Chem. 2020 Aug 13;63(15):8325-8337. | ||||
| REF 2 | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J Med Chem. 2018 Oct 11;61(19):8875-8894. | ||||
| REF 3 | Discovery of Quinazolines That Activate SOS1-Mediated Nucleotide Exchange on RAS. ACS Med Chem Lett. 2018 Aug 8;9(9):941-946. | ||||
| REF 4 | Discovery of Aminopiperidine Indoles That Activate the Guanine Nucleotide Exchange Factor SOS1 and Modulate RAS Signaling. J Med Chem. 2018 Jul 26;61(14):6002-6017. | ||||
| REF 5 | Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods | ||||
| REF 6 | Crystal structure of the GppNHp-bound form of the RasG60A mutant | ||||
| REF 7 | Structure of a transient intermediate for GTP hydrolysis by ras. Structure. 2006 Mar;14(3):427-36. | ||||
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