8B78
KRasG12C ligand complex
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | GTPase KRas | polymer | 168 | 19194.6 | 1 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | B (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 3 | C (A) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 1 | Chemie (GDP) | |||
| 4 | D (A) | 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one | non-polymer | 442.9 | 1 | Chemie (PUO) | |||
| 5 | E (A) | water | water | 18.0 | 124 | Chemie (HOH) |
Sequence modifications
A: 1 - 164 (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 |
| Asp 153 | Glu 153 | conflict |
| Lys 165 | - | expression tag |
| His 166 | - | expression tag |
| Lys 167 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19194.6 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 910.4 | |
| All* | Total formula weight | 20105.0 |
