Zinc in PDB 8g7f: Crystal Structure of Fosb From Bacillus Cereus with Zinc and 1- Hydroxypropylphosphonic Acid

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and 1- Hydroxypropylphosphonic Acid, PDB code: 8g7f 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)	47.27 / 2.04
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.2, 68.273, 69.85, 90, 90, 90
R / Rfree (%)	16.1 / 21.5

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and 1- Hydroxypropylphosphonic Acid 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 1- Hydroxypropylphosphonic Acid (pdb code 8g7f). 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 1- Hydroxypropylphosphonic Acid, PDB code: 8g7f:
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 1- Hydroxypropylphosphonic Acid


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 1- Hydroxypropylphosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn204 b:16.4 occ:1.00 O4 A:1JJ201 1.9 22.6 1.0 OE1 A:GLU115 1.9 15.3 1.0 NE2 B:HIS7 2.0 13.0 1.0 NE2 A:HIS66 2.1 13.0 1.0 CD A:GLU115 2.9 15.7 1.0 CE1 B:HIS7 2.9 13.8 1.0 CD2 A:HIS66 3.0 12.5 1.0 CE1 A:HIS66 3.1 12.5 1.0 CD2 B:HIS7 3.1 13.9 1.0 P1 A:1JJ201 3.2 23.8 1.0 C2 A:1JJ201 3.3 29.9 1.0 OE2 A:GLU115 3.3 14.6 1.0 C1 A:1JJ201 3.6 28.0 1.0 OH A:TYR105 3.8 20.4 1.0 O A:HOH360 3.8 20.5 1.0 CE2 A:TYR105 4.0 20.4 1.0 O1 A:1JJ201 4.0 23.1 1.0 ND1 B:HIS7 4.1 13.7 1.0 C3 A:1JJ201 4.1 30.8 1.0 ND1 A:HIS66 4.2 12.3 1.0 CG A:HIS66 4.2 12.9 1.0 CG B:HIS7 4.2 13.2 1.0 CG A:GLU115 4.2 16.0 1.0 O2 A:1JJ201 4.3 21.6 1.0 CB A:ALA68 4.3 11.7 1.0 CZ A:TYR105 4.3 20.6 1.0 CB A:GLU115 4.5 15.7 1.0 CB B:CYS9 4.7 15.9 1.0 OH A:TYR64 5.0 28.6 1.0 O3 A:1JJ201 5.0 30.4 1.0

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


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 1- Hydroxypropylphosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn206 b:15.6 occ:1.00 O2 B:1JJ202 1.9 16.8 1.0 OE1 B:GLU115 2.0 13.8 1.0 NE2 A:HIS7 2.1 12.0 1.0 NE2 B:HIS66 2.1 15.5 1.0 CD B:GLU115 3.0 14.3 1.0 CE1 A:HIS7 3.0 12.6 1.0 CD2 B:HIS66 3.0 15.3 1.0 CD2 A:HIS7 3.1 12.0 1.0 CE1 B:HIS66 3.2 16.1 1.0 P1 B:1JJ202 3.2 21.4 1.0 C2 B:1JJ202 3.3 25.4 1.0 OE2 B:GLU115 3.3 14.0 1.0 C1 B:1JJ202 3.6 22.7 1.0 O B:HOH354 3.8 15.9 1.0 OH B:TYR105 3.9 16.0 1.0 CE2 B:TYR105 4.0 16.7 1.0 O1 B:1JJ202 4.0 18.8 1.0 C3 B:1JJ202 4.1 27.4 1.0 ND1 A:HIS7 4.2 12.8 1.0 CG B:HIS66 4.2 14.1 1.0 ND1 B:HIS66 4.2 15.2 1.0 CB B:ALA68 4.2 13.5 1.0 CG A:HIS7 4.2 12.3 1.0 CG B:GLU115 4.3 13.2 1.0 O4 B:1JJ202 4.3 18.4 1.0 CZ B:TYR105 4.4 16.6 1.0 CB B:GLU115 4.6 13.7 1.0 CB A:CYS9 4.7 15.7 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