Nickel in PDB 4jh4: Crystal Structure of Fosb From Bacillus Cereus with Nickel and Fosfomycin

The structure of Crystal Structure of Fosb From Bacillus Cereus with Nickel and Fosfomycin, PDB code: 4jh4 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)	49.12 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.405, 68.540, 70.443, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.6

The binding sites of Nickel atom in the Crystal Structure of Fosb From Bacillus Cereus with Nickel and Fosfomycin (pdb code 4jh4). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total 2 binding sites of Nickel where determined in the Crystal Structure of Fosb From Bacillus Cereus with Nickel and Fosfomycin, PDB code: 4jh4:
Jump to Nickel binding site number: 1; 2;

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


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Fosb From Bacillus Cereus with Nickel and Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni201 b:16.0 occ:1.00 O3P A:FCN202 1.9 21.3 1.0 OE1 A:GLU115 2.0 9.0 1.0 NE2 B:HIS7 2.0 9.8 1.0 NE2 A:HIS66 2.1 8.5 1.0 O A:FCN202 2.2 17.5 1.0 CE1 B:HIS7 3.0 10.7 1.0 CD2 A:HIS66 3.0 8.9 1.0 CD A:GLU115 3.0 11.7 1.0 CE1 A:HIS66 3.0 8.8 1.0 CD2 B:HIS7 3.1 9.1 1.0 P A:FCN202 3.2 20.2 1.0 C1 A:FCN202 3.3 20.3 1.0 OE2 A:GLU115 3.4 11.8 1.0 C2 A:FCN202 3.4 19.6 1.0 C3 A:FCN202 3.6 18.8 1.0 O A:HOH365 3.9 24.0 1.0 OH A:TYR105 4.0 17.4 1.0 O2P A:FCN202 4.1 17.6 1.0 ND1 B:HIS7 4.1 10.3 1.0 CE2 A:TYR105 4.2 14.5 1.0 ND1 A:HIS66 4.2 8.9 1.0 CG B:HIS7 4.2 8.9 1.0 CG A:HIS66 4.2 8.5 1.0 O1P A:FCN202 4.4 17.7 1.0 CG A:GLU115 4.4 10.2 1.0 CB A:ALA68 4.5 7.8 1.0 CZ A:TYR105 4.5 16.0 1.0 CB B:CYS9 4.6 10.5 1.0 CB A:GLU115 4.6 9.1 1.0

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


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 2 of Crystal Structure of Fosb From Bacillus Cereus with Nickel and Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni201 b:15.1 occ:1.00 OE1 B:GLU115 2.0 7.6 1.0 NE2 A:HIS7 2.0 8.2 1.0 NE2 B:HIS66 2.1 9.2 1.0 O3P B:FCN202 2.1 17.5 1.0 O B:FCN202 2.2 16.6 1.0 CE1 A:HIS7 2.9 9.2 1.0 CD2 B:HIS66 3.0 10.0 1.0 CD B:GLU115 3.0 8.2 1.0 CD2 A:HIS7 3.1 8.5 1.0 CE1 B:HIS66 3.1 9.2 1.0 P B:FCN202 3.2 16.9 1.0 C1 B:FCN202 3.2 17.6 1.0 C2 B:FCN202 3.4 17.9 1.0 OE2 B:GLU115 3.5 8.5 1.0 C3 B:FCN202 3.5 17.3 1.0 O B:HOH364 3.9 17.2 1.0 OH B:TYR105 4.0 14.5 1.0 ND1 A:HIS7 4.1 8.3 1.0 CE1 B:TYR105 4.1 12.4 1.0 O2P B:FCN202 4.1 16.1 1.0 CG A:HIS7 4.2 8.7 1.0 ND1 B:HIS66 4.2 9.3 1.0 CG B:HIS66 4.2 8.4 1.0 CG B:GLU115 4.4 7.5 1.0 O1P B:FCN202 4.4 17.2 1.0 CB B:ALA68 4.5 8.7 1.0 CZ B:TYR105 4.5 12.6 1.0 CB A:CYS9 4.6 10.9 1.0 CB B:GLU115 4.6 7.7 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