Chlorine in PDB 5yv9: 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: 5yv9 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)	36.88 / 2.53
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	66.823, 78.017, 83.710, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 22.2

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 5yv9). 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: 5yv9:
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:47.0 occ:1.00 CL7 A:91O501 0.0 47.0 1.0 C06 A:91O501 1.8 39.3 1.0 C05 A:91O501 2.8 37.8 1.0 C08 A:91O501 2.8 40.5 1.0 N09 A:91O501 3.1 41.7 1.0 CB A:PHE267 3.6 43.6 1.0 O A:HOH607 3.6 44.3 1.0 CG A:PHE267 3.7 44.5 1.0 O13 A:91O501 3.8 44.1 1.0 CD1 A:LEU319 3.9 42.1 1.0 CD2 A:PHE267 4.0 45.0 1.0 CG1 A:VAL249 4.0 45.1 1.0 C22 A:91O501 4.1 42.6 1.0 CD1 A:PHE267 4.1 43.6 1.0 C01 A:91O501 4.1 37.5 1.0 CB A:ALA192 4.3 45.5 1.0 CB A:VAL249 4.3 44.4 1.0 C10 A:91O501 4.4 38.4 1.0 O A:GLU268 4.6 61.3 1.0 CB A:ALA329 4.6 34.0 1.0 C23 A:91O501 4.6 45.0 1.0 CG2 A:VAL249 4.7 40.4 1.0 CE2 A:PHE267 4.7 44.6 1.0 CE1 A:PHE267 4.8 47.4 1.0 C12 A:91O501 4.9 42.8 1.0 CG2 A:VAL270 5.0 39.4 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:Cl504 b:59.5 occ:1.00 OG A:SER316 3.0 45.7 1.0 N A:SER316 3.3 40.1 1.0 CB A:SER316 3.5 43.2 1.0 CG2 A:VAL278 3.8 59.5 1.0 CD A:PRO315 3.9 39.5 1.0 N A:PRO315 3.9 32.9 1.0 CG A:LYS314 4.0 44.8 1.0 CA A:SER316 4.0 47.3 1.0 CB A:LYS314 4.1 44.1 1.0 CB A:VAL278 4.1 62.4 1.0 CB A:PRO315 4.2 35.1 1.0 CD A:LYS314 4.2 37.8 1.0 C A:PRO315 4.3 44.0 1.0 CG A:PRO315 4.3 42.2 1.0 CA A:PRO315 4.4 41.0 1.0 CZ A:PHE353 4.4 42.8 1.0 C A:LYS314 4.5 43.2 1.0 N A:VAL278 4.6 72.6 1.0 CE1 A:PHE353 4.6 41.8 1.0 CE A:LYS314 4.8 36.3 1.0 O A:MET276 4.9 74.0 1.0 CA A:LYS314 4.9 39.1 1.0 CA A:VAL278 5.0 67.5 1.0

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