4M1Y
Crystal Structure of small molecule vinylsulfonamide 15 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 | K-Ras GTPase | polymer | 170 | 19352.8 | 3 | UniProt (P01116) Pfam (PF00071) In PDB | Homo sapiens (human) | K-Ras 2, Ki-Ras, c-K-ras, c-Ki-ras, GTPase KRas, N-terminally processed |
2 | A, B, C | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 3 | Chemie (GDP) | |||
3 | B | N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethanesulfonamide | non-polymer | 452.4 | 1 | Chemie (21S) | |||
4 | water | water | 18.0 | 314 | 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 | 1782.0 | |
All* | Total formula weight | 59840.3 |