Zinc in PDB 8g7i: Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate, PDB code: 8g7i was solved by S.Travis, A.H.Pang, O.V.Tsodikov, S.Garneau-Tsodikova, M.K.Thompson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.94 / 1.83
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.494, 68.402, 70.063, 90, 90, 90
R / Rfree (%)	15.9 / 18.8

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate (pdb code 8g7i). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate, PDB code: 8g7i:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn203 b:12.6 occ:1.00 OE1 A:GLU115 1.9 11.0 1.0 O4 A:SO4204 2.0 16.9 1.0 NE2 B:HIS7 2.0 11.6 1.0 NE2 A:HIS66 2.0 10.2 1.0 CE1 B:HIS7 2.9 11.2 1.0 CD A:GLU115 2.9 13.9 1.0 CE1 A:HIS66 3.0 10.3 1.0 O3 A:SO4204 3.0 19.8 1.0 S A:SO4204 3.0 20.0 1.0 CD2 A:HIS66 3.1 10.8 1.0 CD2 B:HIS7 3.1 11.6 1.0 OE2 A:GLU115 3.3 14.1 1.0 O A:HOH359 3.9 15.2 1.0 O2 A:SO4204 3.9 19.5 1.0 OH A:TYR105 4.0 16.2 1.0 CE2 A:TYR105 4.0 16.2 1.0 ND1 B:HIS7 4.1 11.4 1.0 ND1 A:HIS66 4.1 10.4 1.0 O1 A:SO4204 4.1 16.8 1.0 CG B:HIS7 4.2 10.6 1.0 CG A:HIS66 4.2 10.8 1.0 CG A:GLU115 4.3 12.3 1.0 CB A:ALA68 4.3 9.5 1.0 CZ A:TYR105 4.4 17.5 1.0 CB A:GLU115 4.5 12.0 1.0 CB B:CYS9 4.8 12.1 1.0 OH A:TYR64 5.0 18.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn207 b:12.0 occ:1.00 OE1 B:GLU115 1.9 12.6 1.0 O3 B:SO4208 2.0 13.6 1.0 NE2 A:HIS7 2.0 10.3 1.0 NE2 B:HIS66 2.0 10.0 1.0 S B:SO4208 2.8 17.5 1.0 CE1 A:HIS7 2.9 10.5 1.0 O2 B:SO4208 2.9 15.6 1.0 CD B:GLU115 3.0 11.6 1.0 CD2 B:HIS66 3.0 11.1 1.0 CE1 B:HIS66 3.1 10.2 1.0 CD2 A:HIS7 3.1 10.9 1.0 OE2 B:GLU115 3.4 11.3 1.0 O4 B:SO4208 3.8 15.4 1.0 O B:HOH388 3.9 12.3 1.0 O1 B:SO4208 4.0 16.6 1.0 CE2 B:TYR105 4.0 12.4 1.0 OH B:TYR105 4.0 13.1 1.0 ND1 A:HIS7 4.1 11.1 1.0 CG A:HIS7 4.2 10.7 1.0 ND1 B:HIS66 4.2 9.8 1.0 CG B:HIS66 4.2 9.9 1.0 CG B:GLU115 4.3 10.5 1.0 CB B:ALA68 4.4 11.1 1.0 CZ B:TYR105 4.5 13.0 1.0 CB B:GLU115 4.6 11.2 1.0 CB A:CYS9 4.8 12.0 1.0 OH B:TYR64 5.0 16.9 1.0

S.Travis, K.D.Green, N.Thamban Chandrika, A.H.Pang, P.A.Frantom, O.V.Tsodikov, S.Garneau-Tsodikova, M.K.Thompson. Identification and Analysis of Small Molecule Inhibitors of Fosb From Staphylococcus Aureus. Rsc Med Chem V. 14 947 2023.
ISSN: ESSN 2632-8682
PubMed: 37252104
DOI: 10.1039/D3MD00113J