Zinc in PDB 4jh1: Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate at 1.55 A Resolution -Sad Phasing

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate at 1.55 A Resolution -Sad Phasing, PDB code: 4jh1 was solved by M.K.Thompson, J.Harp, M.E.Keithly, K.Jagessar, P.D.Cook, R.N.Armstrong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.446, 68.201, 69.598, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 18.8

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate at 1.55 A Resolution -Sad Phasing 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 at 1.55 A Resolution -Sad Phasing (pdb code 4jh1). 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 at 1.55 A Resolution -Sad Phasing, PDB code: 4jh1:
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 at 1.55 A Resolution -Sad Phasing


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 at 1.55 A Resolution -Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:13.4 occ:1.00 O4 A:SO4202 1.9 17.9 1.0 NE2 A:HIS66 2.0 9.8 1.0 OE1 A:GLU115 2.0 11.1 1.0 NE2 B:HIS7 2.0 9.8 1.0 O1 A:SO4202 2.9 22.1 1.0 CE1 B:HIS7 3.0 11.6 1.0 S A:SO4202 3.0 19.3 1.0 CD2 A:HIS66 3.0 10.4 1.0 CE1 A:HIS66 3.0 10.4 1.0 CD A:GLU115 3.0 12.3 1.0 CD2 B:HIS7 3.1 11.5 1.0 OE2 A:GLU115 3.4 15.3 1.0 O A:HOH381 3.9 19.2 1.0 O3 A:SO4202 4.0 21.3 1.0 OH A:TYR105 4.0 19.2 1.0 CE2 A:TYR105 4.0 14.2 1.0 ND1 B:HIS7 4.1 11.7 1.0 ND1 A:HIS66 4.1 9.8 1.0 O2 A:SO4202 4.1 19.9 1.0 CG A:HIS66 4.2 7.6 1.0 CG B:HIS7 4.2 10.7 1.0 CG A:GLU115 4.4 10.2 1.0 CB A:ALA68 4.4 8.9 1.0 CZ A:TYR105 4.4 16.9 1.0 CB A:GLU115 4.6 11.3 1.0 CB B:CYS9 4.7 10.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and Sulfate at 1.55 A Resolution -Sad Phasing


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 at 1.55 A Resolution -Sad Phasing within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:11.7 occ:1.00 O3 B:SO4202 1.9 15.7 1.0 OE1 B:GLU115 2.0 7.7 1.0 NE2 B:HIS66 2.0 7.7 1.0 NE2 A:HIS7 2.1 6.9 1.0 O4 B:SO4202 2.9 19.8 1.0 CE1 A:HIS7 3.0 9.7 1.0 S B:SO4202 3.0 16.3 1.0 CE1 B:HIS66 3.0 9.8 1.0 CD2 B:HIS66 3.0 8.1 1.0 CD B:GLU115 3.0 8.4 1.0 CD2 A:HIS7 3.1 8.3 1.0 OE2 B:GLU115 3.4 11.3 1.0 O B:HOH335 3.9 15.8 1.0 CE2 B:TYR105 3.9 9.6 1.0 O1 B:SO4202 4.0 16.4 1.0 OH B:TYR105 4.0 15.0 1.0 O2 B:SO4202 4.1 16.6 1.0 ND1 A:HIS7 4.1 10.1 1.0 ND1 B:HIS66 4.2 9.6 1.0 CG B:HIS66 4.2 7.7 1.0 CG A:HIS7 4.2 8.1 1.0 CG B:GLU115 4.4 10.3 1.0 CB B:ALA68 4.4 6.6 1.0 CZ B:TYR105 4.4 11.5 1.0 CB B:GLU115 4.6 8.3 1.0 CB A:CYS9 4.7 12.1 1.0

M.K.Thompson, M.E.Keithly, J.Harp, P.D.Cook, K.L.Jagessar, G.A.Sulikowski, R.N.Armstrong. Structural and Chemical Aspects of Resistance to the Antibiotic Fosfomycin Conferred By Fosb From Bacillus Cereus. Biochemistry V. 52 7350 2013.
ISSN: ISSN 0006-2960
PubMed: 24004181
DOI: 10.1021/BI4009648