9I7Y
Crystal Structure of KRasG13C in Complex with Nucleotide-based Covalent Inhibitor 7b
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, C (A, B, C) | Isoform 2B of GTPase KRas | polymer | 171 | 19490.9 | 3 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | D, F, H (A, B, C) | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-oxidanyl-2-[[oxidanyl(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] (3~{S})-3-(propanoylamino)piperidine-1-carboxylate | non-polymer | 625.4 | 3 | Chemie (A1I08) | |||
| 3 | E, G, I (A, B, C) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) PubChem (888) | |||
| 4 | J, K, L (A, B, C) | water | water | 18.0 | 128 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 169 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Gly -1 | - | expression tag |
| His 0 | - | expression tag |
| Cys 13 | Gly 13 | engineered mutation |
| Ser 51 | Cys 51 | engineered mutation |
| Leu 80 | Cys 80 | engineered mutation |
| Ser 118 | Cys 118 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 58472.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1949.2 | |
| All* | Total formula weight | 60422.0 |
