9P46
Crystal structure of HRAS-G12D/Q95H (GMPPNP-bound) in complex with BBO-11818
This is a non-PDB format compatible entry.
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 HRas | polymer | 170 | 19383.8 | 2 | UniProt (P01112) Pfam (PF00071) | Homo sapiens (human) | H-Ras-1,Ha-Ras,Transforming protein p21,c-H-ras,p21ras |
| 2 | C, F (A, B) | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | non-polymer | 522.2 | 2 | Chemie (GNP) | |||
| 3 | D, G (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | E, H (A, B) | methyl (3S)-3-{[(7P)-7-(2-amino-3-cyano-7-fluoro-1-benzothiophen-4-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-4-yl](ethyl)amino}pyrrolidine-1-carboxylate | non-polymer | 733.7 | 2 | Chemie (A1CG4) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 229 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 169 (UniProt: P01112)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Asp 12 | Gly 12 | engineered mutation |
| His 95 | Gln 95 | engineered mutation |
| Ser 118 | Cys 118 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 38767.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2560.5 | |
| All* | Total formula weight | 41328.0 |
