8T4V
Crystal structure of compound 1 bound to K-Ras(G12D)
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 | 187 | 21508.1 | 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) PubChem (136073927) | |||
| 3 | D, G (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) PubChem (888) | |||
| 4 | E, H (A, B) | 4-{(1R,5S)-3-[(7P)-7-(8-ethynylnaphthalen-1-yl)-8-fluoro-2-{[(4s,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl}-4-oxobutanoic acid | non-polymer | 648.7 | 2 | Chemie (Y63) PubChem (168962089) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 337 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 169 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Met -17 | - | initiating methionine |
| His -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| Ser -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Gly -8 | - | expression tag |
| Arg -7 | - | expression tag |
| Glu -6 | - | expression tag |
| Asn -5 | - | expression tag |
| Leu -4 | - | expression tag |
| Tyr -3 | - | expression tag |
| Phe -2 | - | expression tag |
| Gln -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Asp 12 | Gly 12 | variant |
| Ser 51 | Cys 51 | conflict |
| Leu 80 | Cys 80 | conflict |
| Ser 118 | Cys 118 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 43016.1 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2232.5 | |
| All* | Total formula weight | 45248.6 |
