6P8Z
Crystal structure of human KRAS G12C covalently bound to an acryloylazetidine acetamide inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | GTPase KRas | polymer | 183 | 21038.6 | 2 | UniProt (P01116) Pfam (PF00071) In PDB | Homo sapiens (Human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
2 | A, B | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
3 | A, B | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 2 | Chemie (GDP) | |||
4 | A, B | 2-[5-chloro-2-cyclopropyl-3-(5-methoxy-3,4-dihydroisoquinoline-2(1H)-carbonyl)-7-methyl-1H-indol-1-yl]-N-(1-propanoylazetidin-3-yl)acetamide | non-polymer | 563.1 | 2 | Chemie (O5S) | |||
5 | water | water | 18.0 | 255 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 169 (UniProt: P01116)
PDB | External Database | Details |
---|---|---|
Met -13 | - | expression tag |
Lys -12 | - | expression tag |
His -11 | - | expression tag |
His -10 | - | expression tag |
His -9 | - | expression tag |
His -8 | - | expression tag |
His -7 | - | expression tag |
His -6 | - | expression tag |
His -5 | - | expression tag |
Asp -4 | - | expression tag |
Glu -3 | - | expression tag |
Val -2 | - | expression tag |
Asp -1 | - | expression tag |
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 | 2 |
Total formula weight | 42077.2 | |
Non-Polymers* | Number of molecules | 8 |
Total formula weight | 2172.9 | |
All* | Total formula weight | 44250.1 |