Magnesium in PDB 4jh3: Crystal Structure of Fosb From Bacillus Cereus with Zinc and Fosfomycin

The structure of Crystal Structure of Fosb From Bacillus Cereus with Zinc and Fosfomycin, PDB code: 4jh3 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 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.342, 68.271, 69.896, 90.00, 90.00, 90.00
R / Rfree (%)	12.4 / 16.8

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

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and Fosfomycin (pdb code 4jh3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and Fosfomycin, PDB code: 4jh3:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and Fosfomycin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Fosb From Bacillus Cereus with Zinc and Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg202 b:24.6 occ:1.00 O A:HOH455 2.0 33.5 1.0 O A:HOH432 2.0 41.8 1.0 O A:HOH431 2.1 28.5 1.0 O A:HOH434 2.1 34.1 1.0 O A:HOH430 2.1 26.4 1.0 O A:HOH435 2.2 30.1 1.0 O A:ARG35 4.1 15.8 1.0 OE1 A:GLU16 4.2 24.2 1.0 OE1 A:GLU51 4.2 14.7 1.0 OE2 A:GLU16 4.2 36.6 1.0 OE2 A:GLU51 4.3 14.5 1.0 O A:HOH433 4.4 35.6 1.0 CD A:GLU16 4.6 30.9 1.0 CD A:GLU51 4.7 12.5 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and Fosfomycin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Fosb From Bacillus Cereus with Zinc and Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg203 b:26.8 occ:1.00 O A:HOH438 1.9 41.0 1.0 O A:HOH436 1.9 25.3 1.0 O B:HOH400 2.0 26.7 1.0 O A:HOH437 2.1 35.8 1.0 O A:HOH429 2.1 23.6 1.0 O B:HOH401 2.1 37.0 1.0 OE2 A:GLU72 3.8 33.6 1.0 OD1 B:ASN3 4.0 14.3 1.0 O A:HOH331 4.1 18.4 1.0 OD2 A:ASP75 4.2 18.2 1.0 ND2 B:ASN3 4.3 16.6 1.0 CA B:MET1 4.6 12.5 1.0 CG B:ASN3 4.6 12.8 1.0 O A:HOH459 4.6 45.3 1.0 CD A:GLU72 4.9 30.8 1.0 O B:HOH398 4.9 30.1 1.0 NZ A:LYS74 4.9 27.0 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Fosb From Bacillus Cereus with Zinc and Fosfomycin


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Fosb From Bacillus Cereus with Zinc and Fosfomycin within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:40.6 occ:1.00 O B:HOH403 1.9 28.4 1.0 O B:HOH339 1.9 22.2 1.0 O B:HOH410 2.1 41.1 1.0 O B:HOH407 2.4 29.9 1.0 O B:HOH359 4.0 24.9 1.0 O B:ASP17 4.2 14.0 1.0 CG B:ASP17 4.2 40.2 1.0 CB B:ASP17 4.3 19.6 1.0 O B:HOH419 4.3 46.1 1.0 OD1 B:ASP17 4.3 45.0 1.0 CA B:ASP17 4.5 12.9 1.0 O B:HOH357 4.6 24.7 1.0 OD2 B:ASP17 4.7 50.7 1.0 C B:ASP17 4.7 13.3 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