Chlorine in PDB 8uc9: SOS2 Co-Crystal Structure with Fragment Bound (Compound 9)

The structure of SOS2 Co-Crystal Structure with Fragment Bound (Compound 9), PDB code: 8uc9 was solved by R.J.Gunn, J.D.Lawson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.28 / 2.44
Space group	P 43
Cell size a, b, c (Å), α, β, γ (°)	51.762, 51.762, 206.748, 90, 90, 90
R / Rfree (%)	21.4 / 26.1

The binding sites of Chlorine atom in the SOS2 Co-Crystal Structure with Fragment Bound (Compound 9) (pdb code 8uc9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the SOS2 Co-Crystal Structure with Fragment Bound (Compound 9), PDB code: 8uc9:

Chlorine binding site 1 out of 1 in the SOS2 Co-Crystal Structure with Fragment Bound (Compound 9)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of SOS2 Co-Crystal Structure with Fragment Bound (Compound 9) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1101 b:114.0 occ:1.00 CL09 A:QBC1101 0.0 114.0 1.0 C08 A:QBC1101 1.8 78.5 1.0 C07 A:QBC1101 2.8 71.2 1.0 C10 A:QBC1101 2.8 74.7 1.0 CG2 A:VAL903 3.7 56.0 1.0 CG A:LEU899 3.9 50.1 1.0 OD1 A:ASP900 3.9 79.3 1.0 CD2 A:LEU899 3.9 66.3 1.0 CG2 A:VAL876 4.0 54.5 1.0 CE1 A:PHE888 4.1 55.5 1.0 C11 A:QBC1101 4.1 63.1 1.0 C06 A:QBC1101 4.1 56.1 1.0 CE2 A:TYR882 4.2 76.5 1.0 CB A:VAL876 4.3 43.3 1.0 CD2 A:TYR882 4.5 62.3 1.0 CZ A:PHE888 4.6 54.9 1.0 C12 A:QBC1101 4.6 50.8 1.0 CB A:VAL903 4.6 62.2 1.0 CD1 A:PHE888 4.7 62.1 1.0 CD1 A:LEU899 4.8 50.1 1.0 O A:VAL876 4.8 47.9 1.0 O A:LEU899 4.8 59.3 1.0 CG1 A:VAL903 4.9 60.0 1.0 CB A:LEU899 5.0 48.0 1.0

C.R.Smith, D.Chen, J.G.Christensen, R.Coulombe, J.Fethiere, R.J.Gunn, J.Hollander, B.Jones, J.M.Ketcham, S.Khare, J.Kuehler, J.D.Lawson, M.A.Marx, P.Olson, K.E.Pearson, C.Ren, D.Tsagris, T.Ulaganathan, I.Van't Veer, X.Wang, A.Ivetac. Discovery of Five SOS2 Fragment Hits with Binding Modes Determined By SOS2 X-Ray Cocrystallography. J.Med.Chem. 2023.
ISSN: ISSN 0022-2623
PubMed: 38156904
DOI: 10.1021/ACS.JMEDCHEM.3C02140