12FF
KRAS G12V in complex with GDP and a macrocyclic inhibitor (Compound 20).
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, C, D (A, B, C, D) | Isoform 2B of GTPase KRas | polymer | 171 | 19445.9 | 4 | UniProt (P01116) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | E, J, O, S (A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) PubChem (888) | |||
| 3 | F, K, P, T (A, B, C, D) | (5S,9R,21bP)-25-fluoro-3-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-9-methyl-7,8,9,10,14,15,16,19-octahydro-13H-5,9-methano-22,1-(metheno)pyrimido[4',5':9,10][1,3,8]oxadiazacyclononadecino[14,15-e]indazol-11(6H)-one | non-polymer | 631.7 | 4 | Chemie (A1DB0) | |||
| 4 | G, L, Q, U (A, B, C, D) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 4 | Chemie (GDP) | |||
| 5 | H, I, M, N, R... (A, B, C, D) | CALCIUM ION | non-polymer | 40.1 | 6 | Chemie (CA) PubChem (271) | |||
| 6 | W, X, Y, Z (A, B, C, D) | water | water | 18.0 | 335 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 169 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| Pro 0 | - | expression tag |
| Val 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 | 4 |
| Total formula weight | 77783.6 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 4637.4 | |
| All* | Total formula weight | 82420.9 |
