7ACA
CRYSTAL STRUCTURE OF AN ACTIVE KRAS G12D (GPPCP) DIMER IN COMPLEX WITH 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, D | GTPase KRas | polymer | 170 | 19386.8 | 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 | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 3 | A, B, C, D | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | non-polymer | 521.2 | 4 | Chemie (GCP) | |||
| 4 | A, B | (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 | C | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | water | water | 18.0 | 515 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 4 |
| Total formula weight | 77547.4 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 3581.7 | |
| All* | Total formula weight | 81129.1 |
