Magnesium in PDB 3ilf: Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose

The structure of Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose, PDB code: 3ilf was solved by J.H.Hehemann, G.Correc, T.Barbeyron, W.Helbert, G.Michel, M.Czjzek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.34 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.090, 68.378, 71.268, 90.00, 90.00, 90.00
R / Rfree (%)	15.7 / 20.5

The structure of Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Calcium	(Ca)	1 atom

The binding sites of Magnesium atom in the Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose (pdb code 3ilf). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose, PDB code: 3ilf:

Magnesium binding site 1 out of 1 in the Crystal Structure of Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose


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 Porphyranase A (Pora) in Complex with Neo- Porphyrotetraose within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg279 b:8.0 occ:1.00 O A:ALA69 2.7 8.1 1.0 CL A:CL280 2.8 25.9 1.0 O A:HOH556 2.8 21.0 1.0 OD2 A:ASP51 2.8 10.7 1.0 CA A:PHE70 3.4 7.1 1.0 CB A:PHE70 3.5 7.7 1.0 CB A:ASP51 3.6 4.1 1.0 CG A:ASP51 3.6 11.1 1.0 C A:ALA69 3.7 9.4 1.0 CA A:GLY67 4.0 10.4 1.0 CG2 A:ILE44 4.0 10.6 1.0 N A:PHE70 4.0 8.1 1.0 O A:GLY67 4.3 11.2 1.0 O A:HOH501 4.4 43.5 1.0 CB A:ILE44 4.4 10.3 1.0 O A:HOH350 4.5 24.1 1.0 C A:GLY67 4.5 10.6 1.0 O A:HOH367 4.5 29.9 1.0 C A:PHE70 4.5 7.7 1.0 N A:VAL71 4.6 8.2 1.0 O A:HOH502 4.8 38.8 1.0 O A:HOH581 4.9 25.4 1.0 N A:GLY67 4.9 9.2 1.0 OD1 A:ASP51 4.9 7.7 1.0 CD1 A:ILE44 4.9 8.4 1.0 CG A:PHE70 5.0 8.8 1.0

J.H.Hehemann, G.Correc, T.Barbeyron, W.Helbert, M.Czjzek, G.Michel. Transfer of Carbohydrate-Active Enzymes From Marine Bacteria to Japanese Gut Microbiota. Nature V. 464 908 2010.
ISSN: ISSN 0028-0836
PubMed: 20376150
DOI: 10.1038/NATURE08937