8G9Q
Tricomplex of Compound-1, KRAS G12C, and CypA
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | GTPase KRas | polymer | 170 | 19382.8 | 1 | UniProt (P01116) Pfam (PF00071) In PDB | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | D | Peptidyl-prolyl cis-trans isomerase A | polymer | 166 | 18107.5 | 1 | UniProt (P62937) Pfam (PF00160) In PDB | Homo sapiens (human) | PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A |
| 3 | A | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | non-polymer | 522.2 | 1 | Chemie (GNP) | |||
| 4 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | A | methyl (3S)-1-(N-{4-[(pyridin-2-yl)disulfanyl]butanoyl}-L-valyl-3-hydroxy-L-phenylalanyl)-1,2-diazinane-3-carboxylate | non-polymer | 617.8 | 1 | Chemie (YV6) | |||
| 6 | water | water | 18.0 | 358 | Chemie (HOH) |
Sequence modifications
A: 1 - 169 (UniProt: P01116)
D: 1 - 165 (UniProt: P62937)
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
| Cys 12 | Gly 12 | engineered mutation |
| Ser 51 | Cys 51 | conflict |
| Leu 80 | Cys 80 | conflict |
| Ser 118 | Cys 118 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
| Ser 52 | Cys 52 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 37490.3 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1164.3 | |
| All* | Total formula weight | 38654.6 |
