4M1O
Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C (A, B, C) | K-Ras GTPase | polymer | 170 | 19352.8 | 3 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2, Ki-Ras, c-K-ras, c-Ki-ras, GTPase KRas, N-terminally processed |
| 2 | D, F, G (A, B, C) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 3 | Chemie (GDP) PubChem (136073927) PubChem (135398619) PubChem (135402030) PubChem (135431654) PubChem (135566337) PubChem (135760556) PubChem (136026707) PubChem (136053418) PubChem (136663964) PubChem (136664748) PubChem (136759848) PubChem (136759849) PubChem (136759850) PubChem (136836636) PubChem (136847074) PubChem (172898537) | |||
| 3 | E (B) | N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethanesulfonamide | non-polymer | 467.4 | 1 | Chemie (21J) PubChem (137348017) | |||
| 4 | H, I, J (A, B, C) | water | water | 18.0 | 182 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 169 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Cys 12 | Gly 12 | variant |
| Ser 51 | Cys 51 | engineered mutation |
| Leu 80 | Cys 80 | engineered mutation |
| Ser 118 | Cys 118 | engineered mutation |
| Gly 151 | Arg 151 | SEE REMARK 999 |
| Asp 153 | Glu 153 | SEE REMARK 999 |
| Lys 165 | Gln 165 | SEE REMARK 999 |
| His 166 | Tyr 166 | SEE REMARK 999 |
| Lys 167 | Arg 167 | SEE REMARK 999 |
| Glu 168 | Leu 168 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 58058.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1797.0 | |
| All* | Total formula weight | 59855.3 |
