4DST
Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | GTPase KRas, isoform 2B | polymer | 189 | 21530.6 | 1 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | KRas 4B, K-Ras 2, Ki-Ras, c-K-ras, c-Ki-ras, GTPase KRas, N-terminally processed |
| 2 | B (A) | 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine | non-polymer | 243.1 | 1 | Chemie (9LI) | |||
| 3 | C (A) | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | non-polymer | 521.2 | 1 | Chemie (GCP) | |||
| 4 | D, I (A) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | E (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | F (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 7 | G (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 8 | H (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 9 | J (A) | water | water | 18.0 | 90 | Chemie (HOH) |
Sequence modifications
A: 2 - 188 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Ser 1 | - | expression tag |
| Asp 12 | Gly 12 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 21530.6 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1104.3 | |
| All* | Total formula weight | 22634.9 |
