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SOS1 in complex with inhibitor bi-68BS

Analyse SOS1 in complex with inhibitor bi-68BS in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6SFR
Type: protein
Length: 928 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Son of sevenless homolog 1
UniProt: Q07889
Ligands: LBK
Pockets: 13 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Son of sevenless homolog 1	protein	466	61% helix, 4% strand	Q07889
B	Son of sevenless homolog 1	protein	462	60% helix, 4% strand	Q07889

Ligands and binding sites

LBK · 6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine · ligand · 2 copies · chains A, B
IMD · Imidazole · additive · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

13 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1043	0.78	0.80	72	IMD, LBK
2	146	0.44	0.76	27	empty
3	152	0.41	0.74	23	empty
4	115	0.41	0.76	23	empty
5	103	0.40	0.76	22	empty

Interfaces

1 interface between chains.

A–B · 459 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6SFR · SOS1 in Complex with Inhibitor BI-68BS · 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 6SFR · PDBe 6SFR · UniProt Q07889

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