6V9F
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 (A) | GTPase HRas | polymer | 167 | 18856.1 | 1 | UniProt (P01112) Pfam (PF00071) | Homo sapiens (Human) | H-Ras-1,Ha-Ras,Transforming protein p21,c-H-ras,p21ras |
| 2 | B (B) | Son of sevenless homolog 1 | polymer | 482 | 56589.8 | 1 | UniProt (Q07889) Pfam (PF00618) Pfam (PF00617) | Homo sapiens (Human) | SOS-1 |
| 3 | C (C) | GTPase HRas | polymer | 167 | 18932.2 | 1 | UniProt (P01112) Pfam (PF00071) | Homo sapiens (Human) | H-Ras-1,Ha-Ras,Transforming protein p21,c-H-ras,p21ras |
| 4 | D (A) | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | non-polymer | 522.2 | 1 | Chemie (GNP) | |||
| 5 | E (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 6 | F, H, I, J, K... (A, B, C) | FORMIC ACID | non-polymer | 46.0 | 6 | Chemie (FMT) | |||
| 7 | G (B) | 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine | non-polymer | 257.7 | 1 | Chemie (QTS) | |||
| 8 | L, M (B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 9 | O (C) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 10 | P, Q, R (A, B, C) | water | water | 18.0 | 1142 | 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 | 12 |
| Total formula weight | 1287.5 | |
| All* | Total formula weight | 95665.7 |
