Chlorine in PDB 5yvb: Structure of CAMKK2-Inhibitor Complex

All present enzymatic activity of Structure of CAMKK2-Inhibitor Complex:
2.7.11.17;

The structure of Structure of CAMKK2-Inhibitor Complex, PDB code: 5yvb was solved by H.Niwa, N.Handa, S.Yokoyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.77 / 2.02
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.777, 77.547, 84.478, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 21.5

The structure of Structure of CAMKK2-Inhibitor Complex also contains other interesting chemical elements:

Arsenic

(As)

1 atom

The binding sites of Chlorine atom in the Structure of CAMKK2-Inhibitor Complex (pdb code 5yvb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of CAMKK2-Inhibitor Complex, PDB code: 5yvb:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of CAMKK2-Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of CAMKK2-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:44.9 occ:1.00 CL8 A:92C501 0.0 44.9 1.0 C07 A:92C501 1.8 39.9 1.0 C06 A:92C501 2.7 33.9 1.0 C09 A:92C501 2.7 32.6 1.0 O A:HOH642 3.1 70.2 1.0 N A:ASP330 3.8 38.2 1.0 O A:HOH670 3.8 57.9 1.0 CA A:ASP330 3.8 38.7 1.0 CB A:ASP330 4.0 34.8 1.0 C05 A:92C501 4.0 32.9 1.0 C10 A:92C501 4.0 38.1 1.0 O A:HOH601 4.1 47.4 1.0 CG2 A:VAL179 4.3 43.9 1.0 CG A:ASP330 4.4 49.1 1.0 CB A:ALA329 4.4 30.2 1.0 CA A:GLY174 4.5 0.3 1.0 C04 A:92C501 4.5 34.9 1.0 CD A:LYS194 4.7 60.3 1.0 OD1 A:ASP330 4.7 48.9 1.0 C A:ALA329 4.8 35.0 1.0 OD2 A:ASP330 4.8 53.2 1.0 O A:LYS173 5.0 89.1 1.0

Chlorine binding site 2 out of 2 in the Structure of CAMKK2-Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of CAMKK2-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:50.9 occ:1.00 O A:HOH704 3.0 55.6 1.0 N A:SER316 3.1 30.1 1.0 O A:HOH804 3.2 50.1 1.0 OG A:SER316 3.3 42.3 1.0 CD A:PRO315 3.5 29.1 1.0 CB A:SER316 3.5 35.5 1.0 N A:PRO315 3.6 30.3 1.0 CB A:PRO315 3.9 28.2 1.0 CA A:SER316 3.9 34.2 1.0 O A:HOH649 3.9 63.5 1.0 CB A:LYS314 4.0 22.0 1.0 C A:PRO315 4.0 32.5 1.0 CD A:LYS314 4.0 30.9 1.0 CA A:PRO315 4.1 29.0 1.0 CG A:LYS314 4.1 28.1 1.0 CG A:PRO315 4.1 29.3 1.0 CG2 A:VAL278 4.2 45.0 1.0 C A:LYS314 4.2 26.0 1.0 CZ A:PHE353 4.4 27.1 1.0 CB A:VAL278 4.4 48.4 1.0 CE1 A:PHE353 4.6 31.0 1.0 CA A:LYS314 4.7 24.0 1.0 O A:LYS314 4.9 23.4 1.0 CE A:LYS314 5.0 32.5 1.0 N A:VAL278 5.0 41.8 1.0

D.Takaya, J.Mikuni, H.Niwa, N.Handa, A.Tanaka, S.Yokoyama, T.Honma. Structures of CAMKK2-Inhibitor Complexes To Be Published.