Magnesium in PDB 5cx7: Crystal Structure of Pduoc:Heme Complex

The structure of Crystal Structure of Pduoc:Heme Complex, PDB code: 5cx7 was solved by S.Geremia, N.Hickey, D.Ortiz De Orue Lucana, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.07 / 1.97
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.300, 130.120, 120.750, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.6

The structure of Crystal Structure of Pduoc:Heme Complex also contains other interesting chemical elements:

Iron	(Fe)	8 atoms
Chlorine	(Cl)	4 atoms
Sodium	(Na)	18 atoms

The binding sites of Magnesium atom in the Crystal Structure of Pduoc:Heme Complex (pdb code 5cx7). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Pduoc:Heme Complex, PDB code: 5cx7:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Pduoc:Heme Complex


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 Pduoc:Heme Complex within 5.0Å range: probe atom residue distance (Å) B Occ H:Mg202 b:31.4 occ:1.00 O H:HOH316 2.0 30.4 1.0 OE1 H:GLU26 2.1 23.4 1.0 O H:HOH347 2.2 28.2 1.0 O H:HOH314 2.2 38.1 1.0 OE1 H:GLN29 2.2 26.0 1.0 CD H:GLU26 3.1 25.1 1.0 CD H:GLN29 3.2 29.6 1.0 OE2 H:GLU26 3.5 34.2 1.0 NE2 H:GLN29 3.6 32.4 1.0 O G:HOH395 4.3 53.4 1.0 CG H:GLU26 4.4 20.4 1.0 CG H:GLN29 4.6 23.0 1.0 CA H:GLU26 4.7 17.3 1.0 CB H:GLU26 4.7 18.2 1.0 CB H:GLN29 4.9 21.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Pduoc:Heme Complex


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 Pduoc:Heme Complex within 5.0Å range: probe atom residue distance (Å) B Occ P:Mg203 b:32.1 occ:1.00 OE1 P:GLU26 2.1 27.5 1.0 OE1 P:GLN29 2.1 22.9 1.0 O P:HOH351 2.3 22.4 1.0 O P:HOH313 2.4 37.3 1.0 O P:HOH324 2.5 45.6 1.0 CD P:GLU26 3.1 27.5 1.0 CD P:GLN29 3.1 24.2 1.0 OE2 P:GLU26 3.5 34.2 1.0 NE2 P:GLN29 3.5 27.2 1.0 O P:HOH390 3.7 30.3 1.0 CG P:GLU26 4.4 21.9 1.0 CG P:GLN29 4.5 21.4 1.0 CA P:GLU26 4.7 19.2 1.0 CB P:GLU26 4.7 21.0 1.0 CB P:GLN29 4.8 20.1 1.0

D.Ortiz De Orue Lucana, N.Hickey, M.Hensel, J.P.Klare, S.Geremia, T.Tiufiakova, A.E.Torda. The Crystal Structure of the C-Terminal Domain of the Salmonella Enterica Pduo Protein: An Old Fold with A New Heme-Binding Mode. Front Microbiol V. 7 1010 2016.
ISSN: ESSN 1664-302X
PubMed: 27446048
DOI: 10.3389/FMICB.2016.01010