MolNFT v1 · #188894 · protein

Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15)

7UKS · Son of sevenless homolog 1: “Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15)”. X-ray diffraction, 1 ligand (NL0), 6 pockets (best druggability 0.44). MolNFT v1 #188894 on GenesisL1: 3D structure, binding…

PDB: 7UKS
Type: protein
Length: 464 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Son of sevenless homolog 1
UniProt: Q07889
Ligands: NL0
Pockets: 6 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Son of sevenless homolog 1	protein	464	58% helix, 4% strand	Q07889

Ligands and binding sites

NL0 · 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl) phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine · ligand · chains A

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

Pockets

6 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	144	0.44	0.75	26	empty
2	97	0.43	0.78	13	NL0
3	104	0.38	0.76	22	empty
4	79	0.38	0.77	22	empty
5	53	0.29	0.75	13	empty

Compared structures

7UKS · Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15) · 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 7UKS · PDBe 7UKS · UniProt Q07889

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