8XJJ
Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018
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 | Son of sevenless homolog 1 | polymer | 590 | 67985.3 | 1 | UniProt (Q07889) Pfam (PF00618) Pfam (PF00617) In PDB | Homo sapiens (human) | SOS-1 |
| 2 | A | 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile | non-polymer | 535.5 | 1 | Chemie (A1LVJ) | |||
| 3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 4 | water | water | 18.0 | 97 | Chemie (HOH) |
Sequence modifications
A: 564 - 1149 (UniProt: Q07889)
| PDB | External Database | Details |
|---|---|---|
| Gly 560 | - | engineered mutation |
| Ala 561 | - | engineered mutation |
| Met 562 | - | engineered mutation |
| Ala 563 | - | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 67985.3 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1280.3 | |
| All* | Total formula weight | 69265.6 |
