8CX5
Crystal Structure of small molecule alpha,beta-ketoamide 4 covalently bound to K-Ras(G12R)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Isoform 2B of GTPase KRas | polymer | 170 | 19406.8 | 2 | UniProt (P01116-2) Pfam (PF00071) UniProt (by SIFTS) (P01116) In PDB | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 3 | A, B | {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile | non-polymer | 690.2 | 2 | Chemie (P7U) | |||
| 4 | A, B | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 2 | Chemie (GDP) | |||
| 5 | B | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) | |||
| 6 | B | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 7 | water | water | 18.0 | 205 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 169 (UniProt: P01116-2)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Arg 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 | 38813.7 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2528.3 | |
| All* | Total formula weight | 41341.9 |
