7TLE
Crystal Structure of small molecule beta-lactone 1 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 (A) | GTPase KRas | polymer | 169 | 19279.7 | 1 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | B (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 3 | C (A) | (3R,4R)-1-[7-(8-chloronaphthalen-1-yl)-2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]-3-hydroxypiperidine-4-carbaldehyde | non-polymer | 536.1 | 1 | Chemie (I6T) | |||
| 4 | D (A) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 1 | Chemie (GDP) | |||
| 5 | E (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | F (A) | water | water | 18.0 | 89 | Chemie (HOH) |
Sequence modifications
A: 1 - 164 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| 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 | 1 |
| Total formula weight | 19279.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1099.6 | |
| All* | Total formula weight | 20379.3 |
