Zinc in PDB 8g7h: Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxypropan-2-Yl)Phosphonic Acid

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxypropan-2-Yl)Phosphonic Acid, PDB code: 8g7h 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)	48.79 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.233, 68.21, 69.826, 90, 90, 90
R / Rfree (%)	15.4 / 18.5

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxypropan-2-Yl)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- Hydroxypropan-2-Yl)Phosphonic Acid (pdb code 8g7h). 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- Hydroxypropan-2-Yl)Phosphonic Acid, PDB code: 8g7h:
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- Hydroxypropan-2-Yl)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- Hydroxypropan-2-Yl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn206 b:15.2 occ:1.00 O3 A:YRQ201 1.9 20.1 1.0 OE1 A:GLU115 1.9 13.5 1.0 NE2 B:HIS7 2.0 14.9 1.0 NE2 A:HIS66 2.0 12.8 1.0 CD A:GLU115 2.9 16.1 1.0 CE1 B:HIS7 2.9 14.4 1.0 CE1 A:HIS66 2.9 14.2 1.0 CD2 A:HIS66 3.0 13.2 1.0 CD2 B:HIS7 3.1 14.6 1.0 P1 A:YRQ201 3.2 21.7 1.0 OE2 A:GLU115 3.3 15.9 1.0 C2 A:YRQ201 3.6 24.5 1.0 OH A:TYR105 3.8 19.2 1.0 C1 A:YRQ201 3.9 24.5 1.0 CE2 A:TYR105 4.0 19.8 1.0 O A:HOH352 4.0 20.4 1.0 ND1 B:HIS7 4.1 14.2 1.0 ND1 A:HIS66 4.1 13.2 1.0 O4 A:YRQ201 4.1 21.8 1.0 CG A:HIS66 4.1 13.0 1.0 CG B:HIS7 4.2 13.2 1.0 CG A:GLU115 4.3 15.9 1.0 O2 A:YRQ201 4.3 21.1 1.0 CZ A:TYR105 4.3 23.0 1.0 CB A:ALA68 4.3 12.2 1.0 CB A:GLU115 4.5 15.4 1.0 CB B:CYS9 4.8 14.7 1.0 OH A:TYR64 5.0 22.7 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and (1- Hydroxypropan-2-Yl)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- Hydroxypropan-2-Yl)Phosphonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn206 b:13.7 occ:1.00 OE1 B:GLU115 1.9 13.8 1.0 O4 B:YRQ201 1.9 16.5 1.0 NE2 A:HIS7 2.0 12.7 1.0 NE2 B:HIS66 2.1 13.8 1.0 CE1 A:HIS7 2.9 13.4 1.0 CD B:GLU115 2.9 13.0 1.0 CD2 B:HIS66 3.0 13.4 1.0 CD2 A:HIS7 3.1 12.8 1.0 CE1 B:HIS66 3.1 13.8 1.0 P1 B:YRQ201 3.2 17.5 1.0 OE2 B:GLU115 3.3 12.2 1.0 C2 B:YRQ201 3.6 20.2 1.0 C1 B:YRQ201 3.8 21.6 1.0 OH B:TYR105 3.8 16.9 1.0 CE2 B:TYR105 3.9 15.5 1.0 O B:HOH356 4.0 14.7 1.0 O3 B:YRQ201 4.1 16.3 1.0 ND1 A:HIS7 4.1 13.7 1.0 CG B:HIS66 4.2 12.3 1.0 CG A:HIS7 4.2 12.7 1.0 ND1 B:HIS66 4.2 13.2 1.0 O2 B:YRQ201 4.3 18.6 1.0 CZ B:TYR105 4.3 16.0 1.0 CG B:GLU115 4.3 11.6 1.0 CB B:ALA68 4.3 12.9 1.0 CB B:GLU115 4.6 12.9 1.0 CB A:CYS9 4.8 15.6 1.0 OH B:TYR64 4.9 19.5 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