7ACQ
CRYSTAL STRUCTURE OF INACTIVE KRAS G12D (GDP) IN COMPLEX WITH THE SOAKED DIMERIC INHIBITOR BI-5747
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 (A, B, C) | GTPase KRas | polymer | 170 | 19386.8 | 3 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (Human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | D, G, J (A, B, C) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 3 | Chemie (GDP) | |||
| 3 | E, H, K (A, B, C) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
| 4 | F, I (B, C) | (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2,3-dihydroisoindol-1-one | non-polymer | 668.8 | 2 | Chemie (R6W) | |||
| 5 | L, M, N (A, B, C) | water | water | 18.0 | 485 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 169 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Asp 12 | Gly 12 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 58160.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2740.1 | |
| All* | Total formula weight | 60900.6 |
