Research workbench
Crystal structure of SOS1 in complex with compound 4
Analyse Crystal structure of SOS1 in complex with compound 4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AVL
- Type
- protein
- Length
- 938 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Son of sevenless homolog 1
- UniProt
- Q07889
- Ligands
- S2Z
- Pockets
- 10 · best druggability 0.80
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 | 472 | 61% helix, 4% strand | Q07889 |
| B | Son of sevenless homolog 1 | protein | 466 | 60% helix, 4% strand | Q07889 |
Ligands and binding sites
- S2Z · 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine · ligand · 2 copies · chains A, B
- IMD · Imidazole · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1077 | 0.80 | 0.82 | 92 | IMD, S2Z |
| 2 | 95 | 0.46 | 0.80 | 21 | empty |
| 3 | 127 | 0.41 | 0.75 | 20 | empty |
| 4 | 104 | 0.39 | 0.76 | 25 | empty |
| 5 | 97 | 0.39 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 573 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7AVL · Crystal structure of SOS1 in complex with compound 4 · 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 7AVL · PDBe 7AVL · UniProt Q07889
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.