6V9L
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | GTPase HRas | polymer | 167 | 18856.1 | 1 | UniProt (P01112) Pfam (PF00071) In PDB | Homo sapiens (Human) | H-Ras-1,Ha-Ras,Transforming protein p21,c-H-ras,p21ras |
| 2 | B | Son of sevenless homolog 1 | polymer | 482 | 56589.8 | 1 | UniProt (Q07889) Pfam (PF00618) Pfam (PF00617) In PDB | Homo sapiens (Human) | SOS-1 |
| 3 | C | GTPase HRas | polymer | 167 | 18932.2 | 1 | UniProt (P01112) Pfam (PF00071) In PDB | Homo sapiens (Human) | H-Ras-1,Ha-Ras,Transforming protein p21,c-H-ras,p21ras |
| 4 | A | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | non-polymer | 522.2 | 1 | Chemie (GNP) | |||
| 5 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 6 | A | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 7 | B | 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide | non-polymer | 301.7 | 1 | Chemie (QTJ) | |||
| 8 | B, C | FORMIC ACID | non-polymer | 46.0 | 6 | Chemie (FMT) | |||
| 9 | B | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 10 | C | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 11 | water | water | 18.0 | 1097 | Chemie (HOH) |
Sequence modifications
A: 1 - 166 (UniProt: P01112)
B: 566 - 1046 (UniProt: Q07889)
C: 1 - 166 (UniProt: P01112)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Ala 64 | Tyr 64 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Gly 565 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 94378.2 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1390.6 | |
| All* | Total formula weight | 95768.8 |
