7ACH
CRYSTAL STRUCTURE OF ACTIVE KRAS G12D (GPPCP) 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 (A, B) | GTPase KRas | polymer | 170 | 19386.8 | 2 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (Human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | C (A) | (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 | 1 | Chemie (R6W) | |||
| 3 | D, F (A, B) | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | non-polymer | 521.2 | 2 | Chemie (GCP) | |||
| 4 | E, G (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 178 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 38773.7 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1759.8 | |
| All* | Total formula weight | 40533.5 |
