Magnesium in PDB 1h16: Pyruvate Formate-Lyase (E.Coli) in Complex with Pyruvate and Coa

All present enzymatic activity of Pyruvate Formate-Lyase (E.Coli) in Complex with Pyruvate and Coa:
2.3.1.54;

The structure of Pyruvate Formate-Lyase (E.Coli) in Complex with Pyruvate and Coa, PDB code: 1h16 was solved by A.Becker, W.Kabsch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.53
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	54.900, 153.050, 205.950, 90.00, 90.00, 90.00
R / Rfree (%)	14.5 / 16.3

The structure of Pyruvate Formate-Lyase (E.Coli) in Complex with Pyruvate and Coa also contains other interesting chemical elements:

Sodium

(Na)

7 atoms

The binding sites of Magnesium atom in the Pyruvate Formate-Lyase (E.Coli) in Complex with Pyruvate and Coa (pdb code 1h16). 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 Pyruvate Formate-Lyase (E.Coli) in Complex with Pyruvate and Coa, PDB code: 1h16:

Magnesium binding site 1 out of 1 in the Pyruvate Formate-Lyase (E.Coli) in Complex with Pyruvate and Coa


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pyruvate Formate-Lyase (E.Coli) in Complex with Pyruvate and Coa within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg9008 b:53.3 occ:1.00 O5B A:COA1000 2.0 17.7 1.0 O5A A:COA1000 2.1 25.0 1.0 O A:HOH2498 2.8 45.1 1.0 C5B A:COA1000 2.8 15.6 1.0 O A:HOH3250 2.8 36.3 1.0 P1A A:COA1000 2.9 19.3 1.0 P2A A:COA1000 3.0 21.9 1.0 O3A A:COA1000 3.0 20.9 1.0 O1A A:COA1000 3.0 21.3 1.0 C3B A:COA1000 3.6 16.6 1.0 C4B A:COA1000 3.6 15.6 1.0 O6A A:COA1000 3.7 19.9 1.0 O A:HOH3243 4.0 52.8 1.0 C2B A:COA1000 4.0 15.5 1.0 NZ A:LYS161 4.2 22.1 1.0 O4A A:COA1000 4.3 25.0 1.0 O2A A:COA1000 4.3 19.3 1.0 O7A A:COA1000 4.7 22.3 1.0 O4B A:COA1000 4.8 15.0 1.0 O3B A:COA1000 4.8 18.1 1.0 N3A A:COA1000 4.8 13.1 1.0 O2B A:COA1000 4.9 17.4 1.0 CCP A:COA1000 4.9 17.5 1.0 O9A A:COA1000 5.0 21.2 1.0

A.Becker, W.Kabsch. X-Ray Structure of Pyruvate Formate-Lyase in Complex with Pyruvate and Coa.How the Enzyme Uses the Cys-418 Thiyl Radical For Pyruvate Cleavage J.Biol.Chem. V. 277 40036 2002.
ISSN: ISSN 0021-9258
PubMed: 12163496
DOI: 10.1074/JBC.M205821200