9IB5
Structure of 18 (BI-2493) in complex with GDP-KRAS
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | GTPase KRas | polymer | 170 | 19312.7 | 1 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | B (A) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 1 | Chemie (GDP) | |||
| 3 | C (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | E (A) | (7~{S})-2'-azanyl-3-[2-[(2~{S})-2-methylpiperazin-1-yl]pyrimidin-4-yl]spiro[5,6-dihydro-4~{H}-1,2-benzoxazole-7,4'-6,7-dihydro-5~{H}-1-benzothiophene]-3'-carbonitrile | non-polymer | 461.6 | 1 | Chemie (VU6) | |||
| 6 | F (A) | water | water | 18.0 | 254 | Chemie (HOH) |
Sequence modifications
A: 1 - 164 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| 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 | 19312.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 991.2 | |
| All* | Total formula weight | 20303.9 |
