MolNFT v1 · #173303 · protein

Crystal structure of SOS1 in complex with compound 2

7AVI · Son of sevenless homolog 1: “Crystal structure of SOS1 in complex with compound 2”. X-ray diffraction, 1 ligand (S2Q), 16 pockets (best druggability 0.44). MolNFT v1 #173303 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 7AVI
Type: protein
Length: 944 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Son of sevenless homolog 1
UniProt: Q07889
Ligands: S2Q
Pockets: 16 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Son of sevenless homolog 1	protein	472	60% helix, 4% strand	Q07889

Ligands and binding sites

S2Q · 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl) ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide · ligand · 2 copies · chains A, B

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

Pockets

16 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	187	0.44	0.74	30	empty
2	109	0.43	0.78	21	empty
3	122	0.43	0.77	27	empty
4	132	0.42	0.75	27	empty
5	100	0.41	0.77	15	S2Q

Interfaces

1 interface between chains.

A–B · 193 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

7AVI · Crystal structure of SOS1 in complex with compound 2 · 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 7AVI · PDBe 7AVI · UniProt Q07889

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