6TAM
X-RAY STRUCTURE OF HUMAN K-RAS G12C IN COMPLEX WITH COVALENT ISOQUINOLINONE INHIBITOR (COMPOUND 3)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | GTPase KRas | polymer | 170 | 19352.8 | 1 | UniProt (P01116) Pfam (PF00071) In PDB | Homo sapiens (Human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | A | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 1 | Chemie (GDP) | |||
| 3 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | A | 7-[2,4-bis(fluoranyl)phenyl]-3-[(3~{R})-1-propanoylpyrrolidin-3-yl]-4~{H}-isoquinolin-1-one | non-polymer | 382.4 | 1 | Chemie (MZQ) | |||
| 5 | water | water | 18.0 | 125 | Chemie (HOH) |
Sequence modifications
A: 1 - 169 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Cys 12 | Gly 12 | engineered mutation |
| Ser 51 | Cys 51 | engineered mutation |
| Leu 80 | Cys 80 | engineered mutation |
| Ser 118 | Cys 118 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19352.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 849.9 | |
| All* | Total formula weight | 20202.7 |
