Chlorine in PDB 5ufe: Wild-Type K-Ras(Gnp)/R11.1.6 Complex

The structure of Wild-Type K-Ras(Gnp)/R11.1.6 Complex, PDB code: 5ufe was solved by J.A.Parker, C.Mattos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.77 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.713, 64.648, 74.506, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 24.1

The structure of Wild-Type K-Ras(Gnp)/R11.1.6 Complex also contains other interesting chemical elements:

Cobalt	(Co)	3 atoms
Magnesium	(Mg)	1 atom
Cadmium	(Cd)	4 atoms
Calcium	(Ca)	3 atoms

The binding sites of Chlorine atom in the Wild-Type K-Ras(Gnp)/R11.1.6 Complex (pdb code 5ufe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Wild-Type K-Ras(Gnp)/R11.1.6 Complex, PDB code: 5ufe:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Wild-Type K-Ras(Gnp)/R11.1.6 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Wild-Type K-Ras(Gnp)/R11.1.6 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:26.9 occ:1.00 CA A:CA202 2.5 13.1 1.0 O A:HOH317 3.3 24.6 1.0 O3' A:GNP201 3.5 17.2 1.0 O A:HOH306 3.6 26.1 1.0 O A:HOH365 3.7 24.7 1.0 O A:HOH334 4.7 24.7 1.0 OE2 A:GLU31 4.8 35.0 1.0 C3' A:GNP201 4.9 17.5 1.0

Chlorine binding site 2 out of 3 in the Wild-Type K-Ras(Gnp)/R11.1.6 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Wild-Type K-Ras(Gnp)/R11.1.6 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:18.9 occ:1.00 CD A:CD205 2.6 20.7 1.0 OG1 A:THR148 3.2 19.0 1.0 CG2 A:THR148 3.4 15.6 1.0 CA A:ASP119 3.6 20.9 1.0 CB A:ASP119 3.6 12.9 1.0 N A:ASP119 3.7 14.1 1.0 CB A:THR148 3.8 16.8 1.0 CB A:SER145 3.9 14.6 1.0 O A:CYS118 4.1 13.4 1.0 C A:CYS118 4.1 15.7 1.0 CB A:GLN150 4.1 13.9 1.0 SG A:CYS118 4.2 21.3 1.0 OG A:SER145 4.2 14.4 1.0 CG A:GLN150 4.6 14.5 1.0 CG A:ASP119 4.9 19.6 1.0 C A:ASP119 5.0 17.5 1.0

Chlorine binding site 3 out of 3 in the Wild-Type K-Ras(Gnp)/R11.1.6 Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Wild-Type K-Ras(Gnp)/R11.1.6 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:24.5 occ:1.00 CO A:CO214 3.2 13.7 1.0 CB A:HIS95 3.3 14.5 1.0 ND1 A:HIS95 3.5 16.2 1.0 CG A:HIS95 3.7 19.5 1.0 O A:HOH310 4.2 17.4 1.0 CA A:HIS95 4.2 17.2 1.0 O A:HIS95 4.3 17.3 1.0 C A:HIS95 4.5 18.7 1.0 CE1 A:HIS95 4.6 18.6 1.0 OE2 A:GLU98 4.7 19.4 1.0 CD2 A:HIS95 4.9 18.5 1.0

M.J.Kauke, M.W.Traxlmayr, J.A.Parker, J.D.Kiefer, R.Knihtila, J.Mcgee, G.Verdine, C.Mattos, K.D.Wittrup. An Engineered Protein Antagonist of K-Ras/B-Raf Interaction. Sci Rep V. 7 5831 2017.
ISSN: ESSN 2045-2322
PubMed: 28724936
DOI: 10.1038/S41598-017-05889-7