Manganese in PDB 2qf1: Rat Cytosolic Pepck in Complex with Oxaloacetic Acid.

All present enzymatic activity of Rat Cytosolic Pepck in Complex with Oxaloacetic Acid.:
4.1.1.32;

The structure of Rat Cytosolic Pepck in Complex with Oxaloacetic Acid., PDB code: 2qf1 was solved by S.M.Sullivan, T.Holyoak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.48 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.218, 119.340, 60.808, 90.00, 108.71, 90.00
R / Rfree (%)	19.4 / 22.8

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

Sodium

(Na)

1 atom

The binding sites of Manganese atom in the Rat Cytosolic Pepck in Complex with Oxaloacetic Acid. (pdb code 2qf1). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Rat Cytosolic Pepck in Complex with Oxaloacetic Acid., PDB code: 2qf1:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Rat Cytosolic Pepck in Complex with Oxaloacetic Acid.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Rat Cytosolic Pepck in Complex with Oxaloacetic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn700 b:28.2 occ:1.00 O4 A:OAA800 1.8 29.9 0.5 OD1 A:ASP311 2.0 29.2 1.0 NZ A:LYS244 2.2 29.9 1.0 NE2 A:HIS264 2.2 26.1 1.0 O3 A:OAA800 2.3 28.0 0.5 O5 A:OAA800 2.3 29.8 0.5 O2 A:OAA800 2.5 32.5 0.5 C4 A:OAA800 2.7 32.8 0.5 C3 A:OAA800 2.9 30.1 0.5 CG A:ASP311 2.9 29.0 1.0 C4 A:OAA800 2.9 30.8 0.5 OD2 A:ASP311 3.1 29.5 1.0 CD2 A:HIS264 3.1 26.3 1.0 C3 A:OAA800 3.2 32.2 0.5 C2 A:OAA800 3.2 32.7 0.5 CE1 A:HIS264 3.2 26.7 1.0 C1 A:OAA800 3.2 32.6 0.5 CE A:LYS244 3.2 29.2 1.0 O5 A:OAA800 3.9 32.9 0.5 NZ A:LYS290 4.0 28.8 1.0 O4 A:OAA800 4.2 30.8 0.5 O3 A:OAA800 4.2 33.1 0.5 O A:HOH1034 4.2 42.9 1.0 CG A:HIS264 4.3 26.2 1.0 ND1 A:HIS264 4.3 26.6 1.0 CE A:LYS290 4.3 28.8 1.0 CB A:ASP311 4.4 28.4 1.0 C2 A:OAA800 4.4 30.6 0.5 OG A:SER286 4.4 31.0 1.0 O A:HOH858 4.4 40.4 1.0 O1 A:OAA800 4.5 32.8 0.5 CD A:LYS244 4.6 30.5 1.0 O A:ASP311 4.9 28.7 1.0 CZ A:PHE485 4.9 24.2 1.0 CE2 A:PHE485 4.9 24.0 1.0 CA A:ASP311 4.9 28.7 1.0 C1 A:OAA800 5.0 32.0 0.5 NZ A:LYS243 5.0 36.2 1.0

Manganese binding site 2 out of 2 in the Rat Cytosolic Pepck in Complex with Oxaloacetic Acid.


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Rat Cytosolic Pepck in Complex with Oxaloacetic Acid. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn701 b:25.4 occ:0.50 O A:HOH906 1.8 39.7 1.0 O A:HOH962 2.0 44.1 1.0 OE2 A:GLU607 2.1 30.5 1.0 NE2 A:HIS502 2.1 29.7 1.0 O A:HOH849 2.7 37.4 1.0 CD A:GLU607 3.0 31.2 1.0 CE1 A:HIS502 3.0 30.9 1.0 CD2 A:HIS502 3.2 29.9 1.0 OE1 A:GLU607 3.3 33.6 1.0 ND1 A:HIS502 4.2 29.9 1.0 O A:HOH1162 4.2 40.3 1.0 CG A:HIS502 4.3 29.8 1.0 CG A:GLU607 4.3 28.7 1.0 O A:HOH1052 4.3 44.3 1.0 NE2 A:GLN451 4.6 31.1 1.0 O A:LEU498 4.9 28.7 1.0

S.M.Sullivan, T.Holyoak. Structures of Rat Cytosolic Pepck: Insight Into the Mechanism of Phosphorylation and Decarboxylation of Oxaloacetic Acid. Biochemistry V. 46 10078 2007.
ISSN: ISSN 0006-2960
PubMed: 17685635
DOI: 10.1021/BI701038X