Chlorine in PDB 6dyf: Cu(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y

The structure of Cu(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y, PDB code: 6dyf 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)	41.44 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	34.742, 82.882, 38.528, 90.00, 98.96, 90.00
R / Rfree (%)	14.7 / 16.5

The structure of Cu(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Copper	(Cu)	1 atom

The binding sites of Chlorine atom in the Cu(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y (pdb code 6dyf). 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 Cu(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y, PDB code: 6dyf:

Chlorine binding site 1 out of 1 in the Cu(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cu(II)-Bound Structure of the Engineered Cyt CB562 Variant, CH3Y within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:41.1 occ:1.00 H B:GLU86 2.4 20.2 1.0 H B:LYS85 2.7 20.3 0.7 H B:LYS85 2.7 20.4 0.3 HG3 B:GLU86 2.8 22.6 1.0 HB3 B:LYS83 2.9 22.2 1.0 HB2 B:LYS85 3.0 23.2 0.3 HA B:LYS83 3.0 20.9 1.0 HB2 B:LYS85 3.1 23.9 0.7 N B:GLU86 3.2 16.8 1.0 N B:LYS85 3.3 16.9 0.7 N B:LYS85 3.3 17.0 0.3 C B:LYS83 3.3 16.8 1.0 CA B:LYS83 3.4 17.4 1.0 HB2 B:GLU86 3.5 20.5 1.0 N B:VAL84 3.5 17.1 1.0 H B:VAL84 3.5 20.5 1.0 CB B:LYS83 3.6 18.5 1.0 CG B:GLU86 3.7 18.9 1.0 O B:LYS83 3.8 17.1 1.0 CB B:LYS85 3.8 19.4 0.3 CA B:LYS85 3.8 17.5 0.3 CA B:LYS85 3.8 17.4 0.7 CB B:LYS85 3.8 19.9 0.7 CB B:GLU86 3.9 17.1 1.0 C B:LYS85 4.0 16.6 0.7 C B:LYS85 4.0 16.9 0.3 O B:HOH436 4.0 22.9 1.0 C B:VAL84 4.1 16.4 1.0 HG2 B:LYS83 4.1 23.2 1.0 CA B:GLU86 4.2 16.4 1.0 HB2 B:LYS83 4.3 22.2 1.0 OE1 B:GLU86 4.3 22.1 1.0 HG3 B:LYS85 4.3 25.6 0.3 CD B:GLU86 4.4 20.4 1.0 HG2 B:GLU86 4.4 22.6 1.0 CA B:VAL84 4.4 17.2 1.0 HB3 B:LYS85 4.4 23.2 0.3 CG B:LYS83 4.5 19.4 1.0 HG3 B:LYS85 4.5 27.4 0.7 HB3 B:LYS85 4.5 23.9 0.7 CG B:LYS85 4.6 21.4 0.3 H B:ALA87 4.7 17.7 1.0 HA B:GLU86 4.7 19.7 1.0 O B:HOH435 4.7 26.8 1.0 CG B:LYS85 4.8 22.8 0.7 HA B:LYS85 4.8 21.0 0.3 HA B:LYS85 4.8 20.9 0.7 HB B:VAL84 4.8 22.6 1.0 N B:LYS83 4.8 16.8 1.0 HB3 B:GLU86 4.8 20.5 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