Research workbench
Crystal structure of SOS1 in complex with compound 8
Analyse Crystal structure of SOS1 in complex with compound 8 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AVU
- Type
- protein
- Length
- 929 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Son of sevenless homolog 1
- UniProt
- Q07889
- Ligands
- S3Z
- Pockets
- 14 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Son of sevenless homolog 1 | protein | 466 | 60% helix, 4% strand | Q07889 |
| B | Son of sevenless homolog 1 | protein | 463 | 60% helix, 4% strand | Q07889 |
Ligands and binding sites
- S3Z · ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl) phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine · ligand · 2 copies · chains A, B
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1045 | 0.79 | 0.81 | 69 | S3Z |
| 2 | 152 | 0.42 | 0.74 | 27 | empty |
| 3 | 116 | 0.42 | 0.76 | 22 | empty |
| 4 | 114 | 0.41 | 0.76 | 15 | S3Z |
| 5 | 101 | 0.40 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 523 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 7AVU · Crystal structure of SOS1 in complex with compound 8 · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q07889
- Elsewhere: RCSB PDB 7AVU · PDBe 7AVU · UniProt Q07889
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