MolNFT v1 · #163763 · protein

SOS1 in complex with inhibitor bi-3406

6SCM · Son of sevenless homolog 1: “SOS1 in complex with inhibitor bi-3406”. X-ray diffraction, 1 ligand (L7H), 6 pockets (best druggability 0.48). MolNFT v1 #163763 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6SCM
Type: protein
Length: 469 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Son of sevenless homolog 1
UniProt: Q07889
Ligands: L7H
Pockets: 6 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Son of sevenless homolog 1	protein	469	57% helix, 4% strand	Q07889

Ligands and binding sites

L7H · ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl) phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine · ligand · chains A
EDO · 1,2-ethanediol · additive · 5 copies · chains A
IMD · Imidazole · additive · 2 copies · 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	209	0.48	0.75	28	EDO
2	176	0.46	0.75	35	empty
3	101	0.43	0.78	15	IMD, L7H
4	97	0.38	0.76	16	empty
5	71	0.31	0.74	18	empty

Compared structures

6SCM · SOS1 in Complex with Inhibitor BI-3406 · 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 6SCM · PDBe 6SCM · UniProt Q07889

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