Calcium in PDB 5ufq: K-RASG12D(Gnp)/R11.1.6 Complex

The structure of K-RASG12D(Gnp)/R11.1.6 Complex, PDB code: 5ufq 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)	45.17 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.717, 42.707, 100.235, 90.00, 113.33, 90.00
R / Rfree (%)	20 / 26.3

The structure of K-RASG12D(Gnp)/R11.1.6 Complex also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Cadmium	(Cd)	2 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Calcium atom in the K-RASG12D(Gnp)/R11.1.6 Complex (pdb code 5ufq). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the K-RASG12D(Gnp)/R11.1.6 Complex, PDB code: 5ufq:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the K-RASG12D(Gnp)/R11.1.6 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of K-RASG12D(Gnp)/R11.1.6 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca205 b:53.9 occ:1.00 O A:GLU3 2.2 50.1 1.0 OE1 A:GLU76 2.4 55.8 1.0 CL A:CL203 2.5 61.1 1.0 OE2 A:GLU76 3.1 43.8 1.0 CD A:GLU76 3.1 54.0 1.0 C A:GLU3 3.4 44.4 1.0 CE A:LYS5 3.5 55.5 1.0 NZ A:LYS5 3.7 59.4 1.0 CG A:LYS5 3.9 41.3 1.0 CA A:GLU3 4.2 38.9 1.0 CD A:LYS5 4.2 45.1 1.0 CB A:GLU3 4.2 42.7 1.0 N A:GLU3 4.2 42.8 1.0 N A:TYR4 4.3 42.1 1.0 CA A:TYR4 4.4 36.0 1.0 N A:LYS5 4.5 38.8 1.0 CG A:GLU76 4.6 47.1 1.0 C A:TYR4 4.9 35.2 1.0

Calcium binding site 2 out of 2 in the K-RASG12D(Gnp)/R11.1.6 Complex


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of K-RASG12D(Gnp)/R11.1.6 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca204 b:51.5 occ:1.00 O B:GLU3 2.3 45.8 1.0 OE1 B:GLU76 2.7 51.0 1.0 NZ B:LYS5 2.7 49.0 1.0 CL B:CL203 2.8 59.7 1.0 OE2 B:GLU76 3.1 37.2 1.0 C B:GLU3 3.2 45.6 1.0 CD B:GLU76 3.3 45.0 1.0 CB B:GLU3 3.8 43.6 1.0 CA B:GLU3 3.9 47.0 1.0 CE B:LYS5 3.9 50.7 1.0 N B:GLU3 4.1 48.2 1.0 N B:TYR4 4.1 37.5 1.0 CG B:LYS5 4.1 42.8 1.0 CD B:LYS5 4.2 43.8 1.0 CA B:TYR4 4.3 41.5 1.0 N B:LYS5 4.4 34.9 1.0 C B:TYR4 4.7 36.6 1.0 CG B:GLU76 4.8 34.1 1.0 CG B:GLU3 5.0 54.8 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