6QUW
Crystal Structure of KRAS-G12D in Complex with Natural Product-Like Compound 9b
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, E (A, B) | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | non-polymer | 521.2 | 2 | Chemie (GCP) | |||
| 3 | D, F (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | G (B) | (3~{a}~{R},8~{b}~{S})-2,2,3~{a},8~{b}-tetramethyl-3,4-dihydro-1~{H}-pyrrolo[2,3-b]indole | non-polymer | 216.3 | 1 | Chemie (JJQ) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 267 | 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 | 1307.3 | |
| All* | Total formula weight | 40081.0 |
