8AFC
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 12
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | GTPase KRas | polymer | 169 | 19301.8 | 2 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | C, G (A, B) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 2 | Chemie (GDP) | |||
| 3 | D (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | E (A) | 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile | non-polymer | 206.3 | 1 | Chemie (LXK) | |||
| 5 | F (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | H, I (A, B) | water | water | 18.0 | 38 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 164 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Cys 12 | Gly 12 | engineered mutation |
| Ser 118 | Cys 118 | engineered mutation |
| Gly 151 | Arg 151 | engineered mutation |
| Asp 153 | Glu 153 | engineered mutation |
| Lys 165 | - | expression tag |
| His 166 | - | expression tag |
| Lys 167 | - | expression tag |
| Glu 168 | - | expression tag |
| Lys 169 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 38603.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1213.1 | |
| All* | Total formula weight | 39816.6 |
