Manganese in PDB 4jh6: Crystal Structure of Fosb From Bacillus Cereus with Manganese and Fosfomycin

The structure of Crystal Structure of Fosb From Bacillus Cereus with Manganese and Fosfomycin, PDB code: 4jh6 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)	49.06 / 1.32
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.488, 68.691, 70.093, 90.00, 90.00, 90.00
R / Rfree (%)	13.8 / 17.1

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

Magnesium

(Mg)

4 atoms

The binding sites of Manganese atom in the Crystal Structure of Fosb From Bacillus Cereus with Manganese and Fosfomycin (pdb code 4jh6). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Fosb From Bacillus Cereus with Manganese and Fosfomycin, PDB code: 4jh6:
Jump to Manganese binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Fosb From Bacillus Cereus with Manganese and Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn201 b:11.9 occ:1.00 O3P A:FCN202 1.9 14.6 1.0 OE1 A:GLU115 2.0 14.1 1.0 NE2 A:HIS66 2.0 11.9 1.0 NE2 B:HIS7 2.1 12.9 1.0 O A:FCN202 2.5 15.7 1.0 CE1 B:HIS7 3.0 13.3 1.0 CE1 A:HIS66 3.0 13.1 1.0 CD A:GLU115 3.1 12.9 1.0 CD2 A:HIS66 3.1 12.9 1.0 CD2 B:HIS7 3.1 13.4 1.0 P A:FCN202 3.2 15.4 1.0 C1 A:FCN202 3.4 16.4 1.0 OE2 A:GLU115 3.4 14.9 1.0 C2 A:FCN202 3.7 15.1 1.0 C3 A:FCN202 3.9 17.1 1.0 O2P A:FCN202 4.0 15.7 1.0 O A:HOH331 4.0 16.8 1.0 OH A:TYR105 4.0 17.4 1.0 CE2 A:TYR105 4.1 16.7 1.0 ND1 B:HIS7 4.2 13.2 1.0 ND1 A:HIS66 4.2 12.1 1.0 CG B:HIS7 4.2 12.4 1.0 CG A:HIS66 4.2 10.8 1.0 O1P A:FCN202 4.3 14.6 1.0 CG A:GLU115 4.4 14.8 1.0 CB A:ALA68 4.4 13.3 1.0 CZ A:TYR105 4.5 16.7 1.0 CB A:GLU115 4.6 13.1 1.0 CB B:CYS9 4.7 13.7 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Fosb From Bacillus Cereus with Manganese and Fosfomycin


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Fosb From Bacillus Cereus with Manganese and Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn201 b:9.4 occ:1.00 O1P B:FCN202 1.9 12.3 1.0 OE1 B:GLU115 2.0 10.8 1.0 NE2 B:HIS66 2.0 10.2 1.0 NE2 A:HIS7 2.1 10.3 1.0 O B:FCN202 2.5 13.3 1.0 CE1 A:HIS7 3.0 11.4 1.0 CE1 B:HIS66 3.0 10.4 1.0 CD B:GLU115 3.1 10.4 1.0 CD2 B:HIS66 3.1 10.2 1.0 CD2 A:HIS7 3.1 10.2 1.0 P B:FCN202 3.2 12.7 1.0 C1 B:FCN202 3.4 14.5 1.0 OE2 B:GLU115 3.4 11.9 1.0 C2 B:FCN202 3.7 13.6 1.0 C3 B:FCN202 3.9 13.9 1.0 O B:HOH311 4.0 13.0 1.0 O3P B:FCN202 4.1 12.7 1.0 CE1 B:TYR105 4.1 11.5 1.0 OH B:TYR105 4.1 13.5 1.0 ND1 B:HIS66 4.2 10.8 1.0 ND1 A:HIS7 4.2 10.1 1.0 CG B:HIS66 4.2 10.8 1.0 CG A:HIS7 4.3 9.3 1.0 O2P B:FCN202 4.3 12.8 1.0 CG B:GLU115 4.4 10.5 1.0 CB B:ALA68 4.4 10.7 1.0 CB A:CYS9 4.6 12.1 1.0 CZ B:TYR105 4.6 11.4 1.0 CB B:GLU115 4.6 10.4 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