MolNFT v1 · #173316 · protein

Crystal structure of SOS1 in complex with compound 9

7AVV · Son of sevenless homolog 1: “Crystal structure of SOS1 in complex with compound 9”. X-ray diffraction, 1 ligand (S2W), 6 pockets (best druggability 0.44). MolNFT v1 #173316 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 7AVV
Type: protein
Length: 445 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Son of sevenless homolog 1
UniProt: Q07889
Ligands: S2W
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	445	58% helix, 4% strand	Q07889

Ligands and binding sites

S2W · ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl) phenyl]ethyl]-2-methyl-quinazolin-4-amine · ligand · chains A
IMD · Imidazole · additive · 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	0.76	28	empty
2	91	0.40	0.77	15	IMD, S2W
3	119	0.39	0.74	20	empty
4	68	0.35	0.77	19	empty
5	76	0.33	0.75	16	empty

Compared structures

7AVV · Crystal structure of SOS1 in complex with compound 9 · 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 7AVV · PDBe 7AVV · UniProt Q07889

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