Chlorine in PDB 4tl6: Crystal Structure of N-Terminal Domain of Kaic

All present enzymatic activity of Crystal Structure of N-Terminal Domain of Kaic:
2.7.11.1;

The structure of Crystal Structure of N-Terminal Domain of Kaic, PDB code: 4tl6 was solved by J.Abe, T.B.Hiyama, A.Mukaiyama, S.Son, S.Akiyama, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.12 / 1.76
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	134.823, 81.057, 95.640, 90.00, 132.87, 90.00
R / Rfree (%)	16.9 / 20.8

The structure of Crystal Structure of N-Terminal Domain of Kaic also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of N-Terminal Domain of Kaic (pdb code 4tl6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of N-Terminal Domain of Kaic, PDB code: 4tl6:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of N-Terminal Domain of Kaic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of N-Terminal Domain of Kaic within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:19.5 occ:1.00 N A:ILE239 3.2 15.8 1.0 O B:HOH418 3.2 16.5 1.0 NE A:ARG218 3.3 10.4 1.0 CA A:THR238 3.7 14.8 1.0 O A:ILE239 3.7 18.4 1.0 O A:HOH454 3.7 28.4 1.0 CD A:ARG218 3.8 10.7 1.0 CB A:THR238 3.9 20.1 1.0 C A:THR238 4.0 15.8 1.0 CA A:ILE239 4.2 12.6 1.0 CG2 A:THR238 4.3 19.4 1.0 CZ A:ARG218 4.3 12.6 1.0 NZ B:LYS232 4.4 27.8 1.0 C A:ILE239 4.4 18.5 1.0 CG A:ARG218 4.4 12.3 1.0 CB A:ILE239 4.4 11.2 1.0 NH2 A:ARG218 4.5 11.7 1.0 O A:HOH494 4.6 25.7 1.0 CE B:LYS232 4.7 24.8 1.0 O A:PHE237 4.7 13.8 1.0 CG1 A:ILE239 4.9 11.1 1.0 N A:THR238 5.0 15.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of N-Terminal Domain of Kaic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of N-Terminal Domain of Kaic within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:19.1 occ:1.00 O B:HOH471 2.7 35.6 1.0 O C:HOH442 3.2 15.5 1.0 N B:ILE239 3.2 13.9 1.0 NE B:ARG218 3.3 13.8 1.0 O C:HOH490 3.4 41.7 1.0 CA B:THR238 3.7 11.5 1.0 CD B:ARG218 3.8 11.2 1.0 O B:ILE239 3.9 17.3 1.0 CB B:THR238 3.9 18.6 1.0 O B:HOH434 3.9 27.6 1.0 C B:THR238 3.9 13.2 1.0 O B:HOH401 4.0 43.8 1.0 CA B:ILE239 4.2 13.0 1.0 NZ C:LYS232 4.2 26.9 1.0 CZ B:ARG218 4.3 14.2 1.0 CE C:LYS232 4.3 26.3 1.0 CB B:ILE239 4.3 12.2 1.0 CG B:ARG218 4.4 12.2 1.0 CG2 B:THR238 4.4 14.9 1.0 C B:ILE239 4.5 18.1 1.0 NH1 B:ARG218 4.5 11.3 1.0 O B:HOH507 4.7 22.6 1.0 O B:PHE237 4.8 12.5 1.0 CG1 B:ILE239 4.8 12.7 1.0 N B:THR238 5.0 11.1 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of N-Terminal Domain of Kaic


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of N-Terminal Domain of Kaic within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl303 b:24.6 occ:1.00 N C:ILE239 3.2 15.5 1.0 NE C:ARG218 3.2 14.4 1.0 O C:HOH426 3.3 50.4 1.0 CA C:THR238 3.7 17.9 1.0 O C:ILE239 3.7 23.5 1.0 CD C:ARG218 3.7 14.0 1.0 C C:THR238 3.9 18.8 1.0 CB C:THR238 4.0 24.6 1.0 CA C:ILE239 4.1 15.7 1.0 CZ C:ARG218 4.3 17.0 1.0 CB C:ILE239 4.3 18.6 1.0 C C:ILE239 4.4 23.0 1.0 CG C:ARG218 4.5 13.7 1.0 NH2 C:ARG218 4.5 14.8 1.0 CG2 C:THR238 4.6 30.8 1.0 O C:PHE237 4.7 14.9 1.0 O C:HOH452 4.8 25.1 1.0 CG1 C:ILE239 4.9 18.7 1.0 N C:THR238 4.9 15.6 1.0

J.Abe, T.B.Hiyama, A.Mukaiyama, S.Son, T.Mori, S.Saito, M.Osako, J.Wolanin, E.Yamashita, T.Kondo, S.Akiyama. Circadian Rhythms. Atomic-Scale Origins of Slowness in the Cyanobacterial Circadian Clock. Science V. 349 312 2015.
ISSN: ESSN 1095-9203
PubMed: 26113637
DOI: 10.1126/SCIENCE.1261040