Chlorine in PDB 6lde: Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96V AB5

The structure of Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96V AB5, PDB code: 6lde 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)	46.55 / 2.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	53.757, 53.757, 250.721, 90, 90, 120
R / Rfree (%)	17.9 / 24

The structure of Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96V AB5 also contains other interesting chemical elements:

Zinc	(Zn)	6 atoms
Iron	(Fe)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96V AB5 (pdb code 6lde). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96V AB5, PDB code: 6lde:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96V 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, C96V AB5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:28.1 occ:1.00 NE2 A:HIS93 3.3 29.1 1.0 O A:HOH361 3.5 23.7 1.0 CE1 A:HIS93 4.1 34.8 1.0 CD2 A:HIS93 4.2 28.3 1.0 O A:HOH333 4.9 43.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96V AB5


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 the Zn-Directed Tetramer of the Engineered Cyt Cb 562 Variant, C96V AB5 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl206 b:26.0 occ:1.00 ZN C:ZN202 2.2 21.8 1.0 NE2 C:HIS93 3.4 17.8 1.0 O C:HOH309 3.5 27.7 1.0 CE1 C:HIS93 3.8 18.5 1.0 OE2 C:GLU89 4.0 52.4 1.0 CD2 C:HIS93 4.7 18.3 1.0 O C:HOH359 4.8 27.5 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