Chlorine in PDB 5ofs: X-Ray Structure of A Zinc Binding GB1 Mutant

The structure of X-Ray Structure of A Zinc Binding GB1 Mutant, PDB code: 5ofs was solved by U.Rothlisberger, E.Bozkurt, R.Hovius, M.A.S.Perez, N.J.Browning, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.37 / 1.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	74.452, 75.621, 51.153, 90.00, 90.00, 90.00
R / Rfree (%)	12.5 / 14.5

The structure of X-Ray Structure of A Zinc Binding GB1 Mutant also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Chlorine atom in the X-Ray Structure of A Zinc Binding GB1 Mutant (pdb code 5ofs). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of A Zinc Binding GB1 Mutant, PDB code: 5ofs:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Structure of A Zinc Binding GB1 Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure of A Zinc Binding GB1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl104 b:10.5 occ:1.00 ZN D:ZN102 2.2 10.6 1.0 OE1 D:GLU47 3.4 10.6 1.0 OE2 D:GLU47 3.5 11.1 1.0 CD D:GLU47 3.7 10.6 1.0 CG D:GLU47 4.8 11.2 1.0

Chlorine binding site 2 out of 2 in the X-Ray Structure of A Zinc Binding GB1 Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure of A Zinc Binding GB1 Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl105 b:11.7 occ:1.00 N D:HIS28 3.5 9.8 1.0 CB D:HIS28 3.6 10.4 1.0 N D:ALA29 3.7 9.7 1.0 ND1 D:HIS28 4.0 12.9 1.0 CA D:HIS28 4.0 9.4 1.0 CB D:ASP27 4.1 10.4 1.0 CG D:HIS28 4.2 10.3 1.0 C D:HIS28 4.3 9.7 1.0 CG D:ASP27 4.3 11.6 1.0 OD1 D:ASP27 4.3 11.9 1.0 CB D:ALA29 4.4 11.3 1.0 C D:ASP27 4.5 9.5 1.0 CA D:ALA29 4.7 9.8 1.0 CA D:ASP27 4.8 10.4 1.0 OD2 D:ASP27 5.0 14.1 1.0

E.Bozkurt, M.A.S.Perez, R.Hovius, N.J.Browning, U.Rothlisberger. Genetic Algorithm Based Design and Experimental Characterization of A Highly Thermostable Metalloprotein. J. Am. Chem. Soc. V. 140 4517 2018.
ISSN: ESSN 1520-5126
PubMed: 29336153
DOI: 10.1021/JACS.7B10660