Manganese in PDB 2rke: The Structure of Rat Cytosolic Pepck in Complex with Sulfoacetate.

All present enzymatic activity of The Structure of Rat Cytosolic Pepck in Complex with Sulfoacetate.:
4.1.1.32;

The structure of The Structure of Rat Cytosolic Pepck in Complex with Sulfoacetate., PDB code: 2rke was solved by S.M.Sullivan, R.M.Stiffin, G.M.Carlson, T.Holyoak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.09 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.180, 119.031, 60.885, 90.00, 108.84, 90.00
R / Rfree (%)	20.3 / 24.9

The structure of The Structure of Rat Cytosolic Pepck in Complex with Sulfoacetate. also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Manganese atom in the The Structure of Rat Cytosolic Pepck in Complex with Sulfoacetate. (pdb code 2rke). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the The Structure of Rat Cytosolic Pepck in Complex with Sulfoacetate., PDB code: 2rke:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Structure of Rat Cytosolic Pepck in Complex with Sulfoacetate.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Structure of Rat Cytosolic Pepck in Complex with Sulfoacetate. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn700 b:9.8 occ:1.00 O A:HOH863 1.9 3.0 1.0 OD1 A:ASP311 2.0 2.3 1.0 NZ A:LYS244 2.1 2.0 1.0 O A:HOH844 2.2 13.9 1.0 O A:HOH842 2.3 12.3 1.0 NE2 A:HIS264 2.3 5.8 1.0 CG A:ASP311 2.9 5.6 1.0 OD2 A:ASP311 3.2 7.7 1.0 CD2 A:HIS264 3.2 5.6 1.0 CE1 A:HIS264 3.2 6.4 1.0 CE A:LYS244 3.2 2.0 1.0 NZ A:LYS290 4.1 13.7 1.0 O A:HOH1116 4.2 21.1 1.0 O A:HOH886 4.2 20.9 1.0 ND1 A:HIS264 4.3 5.6 1.0 O A:HOH914 4.3 19.6 1.0 CB A:ASP311 4.4 5.6 1.0 CG A:HIS264 4.4 6.1 1.0 CD A:LYS244 4.6 2.0 1.0 O A:HOH980 4.6 21.1 1.0 O3 A:SAT704 4.7 18.4 1.0 O A:HOH910 4.8 24.4 1.0 CZ A:PHE485 4.9 5.0 1.0 O5 A:SAT704 4.9 18.8 1.0 CE2 A:PHE485 5.0 7.1 1.0 CA A:ASP311 5.0 6.0 1.0

Manganese binding site 2 out of 2 in the The Structure of Rat Cytosolic Pepck in Complex with Sulfoacetate.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Structure of Rat Cytosolic Pepck in Complex with Sulfoacetate. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn701 b:26.3 occ:1.00 NE2 A:HIS502 2.1 10.6 1.0 OE2 A:GLU607 2.2 12.4 1.0 O A:HOH1132 2.3 15.5 1.0 CE1 A:HIS502 2.9 12.2 1.0 CD A:GLU607 3.1 11.3 1.0 O A:HOH798 3.1 23.7 1.0 CD2 A:HIS502 3.2 11.3 1.0 OE1 A:GLU607 3.4 13.5 1.0 ND1 A:HIS502 4.1 10.7 1.0 O A:HOH864 4.2 21.5 1.0 O A:HOH904 4.2 17.6 1.0 CG A:HIS502 4.3 11.4 1.0 O A:HOH1052 4.4 25.1 1.0 CG A:GLU607 4.4 7.7 1.0 O A:LEU498 4.8 6.1 1.0 NE2 A:GLN451 4.8 7.2 1.0

R.M.Stiffin, S.M.Sullivan, G.M.Carlson, T.Holyoak. Differential Inhibition of Cytosolic Pepck By Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition. Biochemistry V. 47 2099 2008.
ISSN: ISSN 0006-2960
PubMed: 18197707
DOI: 10.1021/BI7020662