8AFB
CRYSTAL STRUCTURE OF KRAS-G12C IN COMPLEX WITH COMPOUND 23 (BI-0474)
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 | 19358.8 | 1 | UniProt (P01116) Pfam (PF00071) In PDB | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
2 | A | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 1 | Chemie (GDP) | |||
3 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
4 | A | (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile | non-polymer | 587.7 | 1 | Chemie (LXD) | |||
5 | water | water | 18.0 | 133 | Chemie (HOH) |
Sequence modifications
A: 1 - 164 (UniProt: P01116)
PDB | External Database | Details |
---|---|---|
Gly 0 | - | expression tag |
Cys 12 | Gly 12 | engineered mutation |
Ser 118 | Cys 118 | engineered mutation |
Gly 151 | Arg 151 | engineered mutation |
Asp 153 | Glu 153 | engineered mutation |
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 | 19358.8 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 1055.2 | |
All* | Total formula weight | 20414.1 |