Chlorine in PDB 7dcl: Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96I/A38S AB5

The structure of Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96I/A38S AB5, PDB code: 7dcl was solved by W.J.Song, J.Yu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.53 / 2.45
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	53.408, 53.408, 251.61, 90, 90, 120
R / Rfree (%)	19.7 / 25.6

The structure of Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96I/A38S AB5 also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Zinc	(Zn)	8 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96I/A38S AB5 (pdb code 7dcl). 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 the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96I/A38S AB5, PDB code: 7dcl:

Chlorine binding site 1 out of 1 in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96I/A38S AB5


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 the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96I/A38S AB5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:52.0 occ:1.00 ZN A:ZN203 2.3 38.6 1.0 NE2 A:HIS93 3.4 45.7 1.0 CE1 A:HIS93 3.8 43.7 1.0 O A:HOH338 4.0 29.6 1.0 CD2 A:HIS93 4.6 44.4 1.0 OE2 A:GLU89 4.6 65.0 1.0

J.Yu, J.Yang, C.Seok, W.J.Song. Symmetry-Related Residues As Promising Hotspots For the Evolution of De Novo Oligomeric Enzymes Chem Sci 2021.
ISSN: ESSN 2041-6539
DOI: 10.1039/D0SC06823C