Chlorine in PDB 6dyi: Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, H3

The structure of Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, H3, PDB code: 6dyi was solved by F.A.Tezcan, J.Rittle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.25 / 1.96
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	44.580, 45.940, 126.509, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 25.5

The structure of Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, H3 also contains other interesting chemical elements:

Cobalt	(Co)	1 atom
Iron	(Fe)	1 atom
Calcium	(Ca)	6 atoms

The binding sites of Chlorine atom in the Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, H3 (pdb code 6dyi). 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 Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, H3, PDB code: 6dyi:

Chlorine binding site 1 out of 1 in the Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, H3


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Co(II)-Bound Structure of the Engineered Cyt CB562 Variant, H3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:31.0 occ:0.50 O B:HOH355 2.9 27.3 1.0 N B:LYS85 3.4 33.0 1.0 N B:VAL84 3.4 26.8 1.0 CG1 B:VAL84 3.7 23.2 1.0 O B:GLY82 3.9 35.3 1.0 CB B:LYS85 3.9 33.1 1.0 C B:LYS83 4.1 35.7 1.0 CA B:VAL84 4.2 33.1 1.0 CA B:LYS83 4.2 27.8 1.0 CG B:LYS85 4.2 37.4 1.0 C B:VAL84 4.3 35.2 1.0 CA B:LYS85 4.3 39.3 1.0 CB B:VAL84 4.3 43.5 1.0 CG2 B:VAL84 4.5 28.9 1.0 C B:GLY82 4.9 33.0 1.0 CD B:LYS85 5.0 50.8 1.0

J.Rittle, M.J.Field, M.T.Green, F.A.Tezcan. An Efficient, Step-Economical Strategy For the Design of Functional Metalloproteins. Nat.Chem. V. 11 434 2019.
ISSN: ESSN 1755-4349
PubMed: 30778140
DOI: 10.1038/S41557-019-0218-9