Chlorine in PDB 6ggk: Crystal Structure of COTB2 C-Terminal Truncation

All present enzymatic activity of Crystal Structure of COTB2 C-Terminal Truncation:
4.2.3.146;

The structure of Crystal Structure of COTB2 C-Terminal Truncation, PDB code: 6ggk was solved by R.Driller, S.Janke, M.Fuchs, E.Warner, A.R.Mhashal, D.T.Major, M.Christmann, T.Brueck, B.Loll, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.86 / 2.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.010, 99.714, 107.718, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 24.1

The structure of Crystal Structure of COTB2 C-Terminal Truncation also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of COTB2 C-Terminal Truncation (pdb code 6ggk). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of COTB2 C-Terminal Truncation, PDB code: 6ggk:

Chlorine binding site 1 out of 1 in the Crystal Structure of COTB2 C-Terminal Truncation


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 COTB2 C-Terminal Truncation within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:60.8 occ:1.00 O B:HOH497 4.0 30.8 1.0 CB A:GLU144 4.5 25.2 1.0 O A:GLU140 4.6 26.1 1.0 CG A:GLU144 4.7 23.2 1.0 O A:HOH431 4.7 24.4 1.0 C A:GLU140 4.8 30.6 1.0 CB A:GLU140 4.9 27.4 1.0 CA A:VAL141 5.0 27.9 1.0 CG2 B:VAL141 5.0 23.1 1.0

R.Driller, S.Janke, M.Fuchs, E.Warner, A.R.Mhashal, D.T.Major, M.Christmann, T.Bruck, B.Loll. Towards A Comprehensive Understanding of the Structural Dynamics of A Bacterial Diterpene Synthase During Catalysis. Nat Commun V. 9 3971 2018.
ISSN: ESSN 2041-1723
PubMed: 30266969
DOI: 10.1038/S41467-018-06325-8