7TLG
Crystal Structure of small molecule beta-lactone 5 covalently bound to K-Ras(G12S)
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) | GTPase KRas | polymer | 170 | 19336.7 | 2 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | C, F (A, B) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 2 | Chemie (GDP) | |||
| 3 | D, H (A, B) | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4S,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde | non-polymer | 576.1 | 2 | Chemie (I7H) | |||
| 4 | E, G (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 342 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 164 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Ser 12 | Gly 12 | engineered mutation |
| Ser 51 | Cys 51 | conflict |
| Leu 80 | Cys 80 | conflict |
| Ser 118 | Cys 118 | conflict |
| Gly 151 | Arg 151 | conflict |
| Asp 153 | Glu 153 | conflict |
| Lys 165 | - | expression tag |
| His 166 | - | expression tag |
| Lys 167 | - | expression tag |
| Glu 168 | - | expression tag |
| Lys 169 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 38673.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2087.1 | |
| All* | Total formula weight | 40760.6 |
