Zinc in PDB 8g7g: Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic Acid, PDB code: 8g7g 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)	47.19 / 2.23
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.234, 68.534, 69.541, 90, 90, 90
R / Rfree (%)	17.7 / 24.6

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic 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- Hydroxy-2-Methylpropyl)Phosphonic Acid (pdb code 8g7g). 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- Hydroxy-2-Methylpropyl)Phosphonic Acid, PDB code: 8g7g:
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- Hydroxy-2-Methylpropyl)Phosphonic 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- Hydroxy-2-Methylpropyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn203 b:18.1 occ:1.00 O3 A:YS8202 1.8 26.9 1.0 OE1 A:GLU115 1.9 17.1 1.0 NE2 A:HIS66 2.1 15.1 1.0 NE2 B:HIS7 2.1 14.0 1.0 O1 A:YS8202 2.5 40.3 1.0 CD A:GLU115 2.9 16.8 1.0 CE1 B:HIS7 3.0 15.1 1.0 CE1 A:HIS66 3.1 15.6 1.0 P1 A:YS8202 3.1 33.6 1.0 CD2 A:HIS66 3.1 15.0 1.0 CD2 B:HIS7 3.2 14.5 1.0 OE2 A:GLU115 3.2 17.2 1.0 C4 A:YS8202 3.3 38.7 1.0 OH A:TYR105 3.8 19.0 1.0 O4 A:YS8202 3.9 24.1 1.0 O A:HOH317 3.9 25.9 1.0 CE2 A:TYR105 4.0 19.7 1.0 ND1 B:HIS7 4.2 14.0 1.0 ND1 A:HIS66 4.2 15.2 1.0 CG A:HIS66 4.2 15.2 1.0 O2 A:YS8202 4.2 28.6 1.0 CG A:GLU115 4.3 17.3 1.0 CG B:HIS7 4.3 14.4 1.0 C3 A:YS8202 4.3 49.7 1.0 CZ A:TYR105 4.4 20.6 1.0 CB A:ALA68 4.4 13.5 1.0 C2 A:YS8202 4.4 47.7 1.0 CB A:GLU115 4.5 16.3 1.0 CB B:CYS9 4.8 17.7 1.0 OH A:TYR64 4.9 28.4 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxy-2-Methylpropyl)Phosphonic 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- Hydroxy-2-Methylpropyl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn202 b:14.6 occ:1.00 OE1 B:GLU115 2.0 15.4 1.0 O2 B:YS8201 2.0 23.5 1.0 NE2 B:HIS66 2.1 18.2 1.0 NE2 A:HIS7 2.2 12.1 1.0 O1 B:YS8201 2.5 33.7 1.0 CD2 B:HIS66 3.0 17.9 1.0 CD B:GLU115 3.0 16.0 1.0 P1 B:YS8201 3.1 30.8 1.0 CE1 B:HIS66 3.1 18.4 1.0 CE1 A:HIS7 3.2 12.2 1.0 CD2 A:HIS7 3.2 12.1 1.0 OE2 B:GLU115 3.4 19.8 1.0 C4 B:YS8201 3.4 33.1 1.0 O B:HOH331 3.8 21.6 1.0 OH B:TYR105 4.0 15.3 1.0 CE2 B:TYR105 4.0 15.4 1.0 O3 B:YS8201 4.0 27.6 1.0 CG B:HIS66 4.2 16.6 1.0 ND1 B:HIS66 4.2 17.9 1.0 O4 B:YS8201 4.3 27.3 1.0 ND1 A:HIS7 4.3 12.6 1.0 CG A:HIS7 4.3 12.6 1.0 CB B:ALA68 4.3 14.9 1.0 CG B:GLU115 4.3 15.8 1.0 CZ B:TYR105 4.4 15.8 1.0 C1 B:YS8201 4.4 41.7 1.0 C2 B:YS8201 4.6 38.8 1.0 CB B:GLU115 4.6 16.2 1.0 CB A:CYS9 4.8 16.7 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