6V9O
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, G (B) | 3-(phenylsulfonyl)benzene-1-sulfonamide | non-polymer | 297.4 | 2 | Chemie (QTA) | |||
| 7 | H, I, J, K, L... (B, C) | FORMIC ACID | non-polymer | 46.0 | 7 | Chemie (FMT) | |||
| 8 | M, N (B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 9 | Q (C) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 10 | R, S, T (A, B, C) | water | water | 18.0 | 1158 | 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 | 14 |
| Total formula weight | 1670.6 | |
| All* | Total formula weight | 96048.7 |
