8AFD
CRYSTAL STRUCTURE OF BIT-BLOCKED KRAS-G12V-S39C IN COMPLEX WITH COMPOUND 20a
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B, C, D | GTPase KRas | polymer | 170 | 19370.9 | 4 | UniProt (P01116) Pfam (PF00071) In PDB | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
2 | A, B, C, D | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 4 | Chemie (GDP) | |||
3 | A, B, C, D | 1H-benzimidazol-2-ylmethanethiol | non-polymer | 164.2 | 4 | Chemie (2XO) | |||
4 | A, B, C, D | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
5 | A, B | (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile | non-polymer | 351.4 | 2 | Chemie (LXU) | |||
6 | water | water | 18.0 | 394 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 164 (UniProt: P01116)
PDB | External Database | Details |
---|---|---|
Gly 0 | - | expression tag |
Val 12 | Gly 12 | engineered mutation |
Cys 39 | Ser 39 | 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 | 4 |
Total formula weight | 77483.6 | |
Non-Polymers* | Number of molecules | 14 |
Total formula weight | 3229.8 | |
All* | Total formula weight | 80713.4 |