10JT
CRYSTAL STRUCTURE OF KIRSTEN RAT SARCOMA G12C COMPLEXED WITH GMPPNP AND COVALENTLY BOUND TO 1-[(2R,3R)-3-{[(7P)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{ [(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d] pyrimidin-4-yl](methyl)amino}-2-methylpyrrolidin-1-yl]-3-(pyrazin-2-yl)propan-1-one
This is a non-PDB format compatible entry.
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) | Isoform 2B of GTPase KRas | polymer | 172 | 19480.9 | 2 | UniProt (P01116) | 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, H (A, B) | 1-[(2R,3R)-3-{[(7P)-7-(8-ethynyl-7-fluoronaphthalen-1-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl](methyl)amino}-2-methylpyrrolidin-1-yl]-3-(pyrazin-2-yl)propan-1-one | non-polymer | 720.8 | 2 | Chemie (A1C5K) | |||
| 4 | E, F, I, J (A, B) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 5 | K, L (A, B) | water | water | 18.0 | 187 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 169 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ala -1 | - | expression tag |
| 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 | 2 |
| Total formula weight | 38961.8 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2488.3 | |
| All* | Total formula weight | 41450.1 |
