8UN3
KRAS-G13D-GDP in complex with Cpd5 (1-((S)-10-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-11-chloro-7-(((2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl)methoxy)-3,4,13,13a-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-2(1H)-yl)prop-2-en-1-one)
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) | GTPase KRas | polymer | 168 | 19156.5 | 4 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | E, K, P, T (A, B, C, D) | 1-[(5M,8aS,13R)-5-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-2-{[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy}-8a,9,11,12-tetrahydropyrazino[2',1':3,4][1,4]oxazepino[5,6,7-de]quinazolin-10(8H)-yl]prop-2-en-1-one | non-polymer | 636.0 | 4 | Chemie (XOI) | |||
| 3 | F, L, Q, U (A, B, C, D) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 4 | Chemie (GDP) | |||
| 4 | G, I, J, R (A, C) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 5 | H, M, N, S, V (A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 5 | Chemie (MG) | |||
| 6 | O, W (B, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 7 | AA, X, Y, Z (D, A, B, C) | water | water | 18.0 | 430 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 2 - 168 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Ser 1 | - | expression tag |
| Asp 13 | Gly 13 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 76626.0 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 4704.4 | |
| All* | Total formula weight | 81330.4 |
