Cobalt in PDB 4jh5: Crystal Structure of Fosb From Bacillus Cereus with Cobalt and Fosfomycin

The structure of Crystal Structure of Fosb From Bacillus Cereus with Cobalt and Fosfomycin, PDB code: 4jh5 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)	48.82 / 1.77
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.327, 68.230, 69.880, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20.9

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

Magnesium

(Mg)

2 atoms

The binding sites of Cobalt atom in the Crystal Structure of Fosb From Bacillus Cereus with Cobalt and Fosfomycin (pdb code 4jh5). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 2 binding sites of Cobalt where determined in the Crystal Structure of Fosb From Bacillus Cereus with Cobalt and Fosfomycin, PDB code: 4jh5:
Jump to Cobalt binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Crystal Structure of Fosb From Bacillus Cereus with Cobalt and Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Co201 b:18.3 occ:1.00 O2P A:FCN202 1.9 16.3 1.0 OE1 A:GLU115 2.0 9.5 1.0 NE2 A:HIS66 2.1 8.5 1.0 NE2 B:HIS7 2.1 8.6 1.0 O A:FCN202 2.5 17.4 1.0 CE1 B:HIS7 3.0 9.2 1.0 CD2 A:HIS66 3.0 9.4 1.0 CD A:GLU115 3.0 11.6 1.0 CE1 A:HIS66 3.1 9.9 1.0 CD2 B:HIS7 3.1 8.5 1.0 P A:FCN202 3.2 15.3 1.0 C1 A:FCN202 3.4 16.6 1.0 OE2 A:GLU115 3.4 12.5 1.0 C2 A:FCN202 3.6 17.4 1.0 C3 A:FCN202 3.7 17.1 1.0 OH A:TYR105 3.9 13.4 1.0 CE1 A:TYR105 4.1 12.2 1.0 O A:HOH343 4.1 16.7 1.0 O1P A:FCN202 4.1 15.4 1.0 ND1 B:HIS7 4.2 9.2 1.0 ND1 A:HIS66 4.2 9.8 1.0 CG A:HIS66 4.2 8.8 1.0 CG B:HIS7 4.2 8.3 1.0 CG A:GLU115 4.4 10.6 1.0 O3P A:FCN202 4.4 15.0 1.0 CZ A:TYR105 4.4 13.7 1.0 CB A:ALA68 4.5 8.8 1.0 CB B:CYS9 4.6 12.2 1.0 CB A:GLU115 4.7 10.6 1.0

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


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Crystal Structure of Fosb From Bacillus Cereus with Cobalt and Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Co201 b:18.1 occ:1.00 O3P B:FCN203 2.0 13.5 1.0 OE1 B:GLU115 2.0 9.2 1.0 NE2 A:HIS7 2.0 9.2 1.0 CE1 B:HIS66 2.1 7.5 1.0 O B:FCN203 2.5 17.3 1.0 CE1 A:HIS7 2.9 8.9 1.0 NE2 B:HIS66 3.0 9.9 1.0 CD B:GLU115 3.1 9.7 1.0 CD2 A:HIS7 3.1 9.3 1.0 ND1 B:HIS66 3.2 12.1 1.0 P B:FCN203 3.2 13.2 1.0 C1 B:FCN203 3.4 17.0 1.0 OE2 B:GLU115 3.5 9.6 1.0 C2 B:FCN203 3.6 18.2 1.0 C3 B:FCN203 3.7 17.3 1.0 OH B:TYR105 4.0 12.4 1.0 O B:HOH334 4.0 12.9 1.0 O2P B:FCN203 4.1 13.2 1.0 CE1 B:TYR105 4.1 12.3 1.0 ND1 A:HIS7 4.1 9.0 1.0 CD2 B:HIS66 4.2 7.6 1.0 CG A:HIS7 4.2 8.4 1.0 CG B:HIS66 4.3 8.4 1.0 O1P B:FCN203 4.3 14.5 1.0 CG B:GLU115 4.4 8.9 1.0 CB B:ALA68 4.5 8.1 1.0 CZ B:TYR105 4.5 12.2 1.0 CB B:GLU115 4.6 10.0 1.0 CB A:CYS9 4.6 12.0 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