Magnesium in PDB 2rds: Crystal Structure of Ptlh with Fe/Oxalylglycine and Ent-1- Deoxypentalenic Acid Bound

The structure of Crystal Structure of Ptlh with Fe/Oxalylglycine and Ent-1- Deoxypentalenic Acid Bound, PDB code: 2rds was solved by Z.You, S.Omura, H.Ikeda, D.E.Cane, G.Jogl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.65
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	69.951, 89.387, 48.770, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.9

The structure of Crystal Structure of Ptlh with Fe/Oxalylglycine and Ent-1- Deoxypentalenic Acid Bound also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Ptlh with Fe/Oxalylglycine and Ent-1- Deoxypentalenic Acid Bound (pdb code 2rds). 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 Ptlh with Fe/Oxalylglycine and Ent-1- Deoxypentalenic Acid Bound, PDB code: 2rds:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Ptlh with Fe/Oxalylglycine and Ent-1- Deoxypentalenic Acid Bound


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 Ptlh with Fe/Oxalylglycine and Ent-1- Deoxypentalenic Acid Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg266 b:19.6 occ:1.00 O A:HOH273 2.0 24.8 1.0 O A:HOH274 2.1 17.9 1.0 O A:HOH275 2.1 20.5 1.0 O A:HOH272 2.2 23.4 1.0 O A:HOH271 2.3 21.5 1.0 OD2 A:ASP60 4.1 17.9 1.0 OD1 A:ASP60 4.4 15.9 1.0 O A:HOH606 4.4 34.6 1.0 O A:HOH607 4.5 49.8 1.0 CB A:HIS62 4.5 14.3 1.0 CG A:ASP60 4.7 16.2 1.0 CD2 A:HIS62 4.9 13.2 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Ptlh with Fe/Oxalylglycine and Ent-1- Deoxypentalenic Acid Bound


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 Ptlh with Fe/Oxalylglycine and Ent-1- Deoxypentalenic Acid Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg267 b:19.8 occ:1.00 O A:HOH277 2.0 22.4 1.0 O A:HOH276 2.1 21.1 1.0 O A:HOH279 2.1 24.9 1.0 O A:HOH611 2.2 20.2 1.0 O A:HOH280 2.2 23.5 1.0 O A:HOH278 2.2 26.5 1.0 O A:HOH281 2.2 23.2 1.0 N A:GLY176 4.0 18.0 1.0 O A:HOH571 4.1 36.0 1.0 ND1 A:HIS223 4.2 14.5 1.0 CA A:GLY176 4.2 17.8 1.0 O A:HOH378 4.3 20.2 1.0 O A:HIS173 4.4 14.1 1.0 O A:HOH550 4.6 28.7 1.0 CE1 A:HIS223 4.6 14.6 1.0 O A:ARG174 4.7 17.2 1.0 C A:ARG174 4.7 16.9 1.0 C A:ARG175 5.0 18.4 1.0 CA A:ARG174 5.0 15.7 1.0

Z.You, S.Omura, H.Ikeda, D.E.Cane, G.Jogl. Crystal Structure of the Non-Heme Iron Dioxygenase Ptlh in Pentalenolactone Biosynthesis. J.Biol.Chem. V. 282 36552 2007.
ISSN: ISSN 0021-9258
PubMed: 17942405
DOI: 10.1074/JBC.M706358200