5YY1
Co-crystal Structure of KRAS (G12C) covalently bound with Quinazoline based inhibitor JBI739
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | GTPase KRas | polymer | 170 | 19352.8 | 1 | UniProt (P01116) Pfam (PF00071) In PDB | Homo sapiens (Human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
2 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
3 | A | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 1 | Chemie (GDP) | |||
4 | A | 1-[4-[6-chloranyl-8-fluoranyl-7-[2-(trifluoromethyl)phenyl]quinazolin-4-yl]piperazin-1-yl]propan-1-one | non-polymer | 466.9 | 1 | Chemie (94F) | |||
5 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
6 | water | water | 18.0 | 140 | Chemie (HOH) |
Sequence modifications
A: 1 - 169 (UniProt: P01116)
PDB | External Database | Details |
---|---|---|
Gly 0 | - | expression tag |
Cys 12 | Gly 12 | variant |
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 | 1 |
Total formula weight | 19352.8 | |
Non-Polymers* | Number of molecules | 5 |
Total formula weight | 1058.5 | |
All* | Total formula weight | 20411.3 |