Manganese in PDB 4wou: Crystal Structure of Mtb Pepck in Complex with Gdp and Metals

All present enzymatic activity of Crystal Structure of Mtb Pepck in Complex with Gdp and Metals:
4.1.1.32;

The structure of Crystal Structure of Mtb Pepck in Complex with Gdp and Metals, PDB code: 4wou was solved by H.L.Kim, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.58 / 2.12
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	103.316, 125.172, 122.147, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 21.1

The structure of Crystal Structure of Mtb Pepck in Complex with Gdp and Metals also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Manganese atom in the Crystal Structure of Mtb Pepck in Complex with Gdp and Metals (pdb code 4wou). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Crystal Structure of Mtb Pepck in Complex with Gdp and Metals, PDB code: 4wou:

Manganese binding site 1 out of 1 in the Crystal Structure of Mtb Pepck in Complex with Gdp and Metals


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Mtb Pepck in Complex with Gdp and Metals within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn703 b:37.5 occ:0.67 O A:HOH1115 1.9 37.8 1.0 OG1 A:THR276 2.2 38.6 1.0 O A:HOH1116 2.2 50.2 1.0 O1B A:GDP701 2.3 33.1 1.0 O A:HOH824 2.5 42.1 1.0 O A:HOH834 2.7 44.0 1.0 PB A:GDP701 3.4 35.1 1.0 O2B A:GDP701 3.5 33.6 1.0 CB A:THR276 3.5 36.4 1.0 O A:HOH1100 3.7 39.0 1.0 N A:THR276 4.1 34.1 1.0 CA A:THR276 4.3 32.9 1.0 O3B A:GDP701 4.3 33.5 1.0 O1A A:GDP701 4.4 37.0 1.0 OD2 A:ASP295 4.4 38.0 1.0 O A:HOH1114 4.5 50.4 1.0 CG2 A:THR276 4.5 35.1 1.0 O3A A:GDP701 4.6 37.8 1.0 O A:HOH1107 4.7 37.4 1.0 O A:ASP295 4.8 35.0 1.0 CG A:ASP295 4.9 35.9 1.0 PA A:GDP701 4.9 34.7 1.0 CB A:LYS275 5.0 32.6 1.0

H.L.Kim, I.V.Kriger, J.C.Sacchettini. Crystal Structure of Mtb Pepck in Complex with Gdp and Metals To Be Published.