Manganese in PDB 2qey: Rat Cytosolic Pepck in Complex with Gtp

All present enzymatic activity of Rat Cytosolic Pepck in Complex with Gtp:
4.1.1.32;

The structure of Rat Cytosolic Pepck in Complex with Gtp, PDB code: 2qey 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)	32.62 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.713, 118.851, 60.704, 90.00, 108.84, 90.00
R / Rfree (%)	19.3 / 22.9

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

Sodium

(Na)

1 atom

The binding sites of Manganese atom in the Rat Cytosolic Pepck in Complex with Gtp (pdb code 2qey). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 3 binding sites of Manganese where determined in the Rat Cytosolic Pepck in Complex with Gtp, PDB code: 2qey:
Jump to Manganese binding site number: 1; 2; 3;

Manganese binding site 1 out of 3 in the Rat Cytosolic Pepck in Complex with Gtp


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 Gtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn700 b:18.1 occ:1.00 O A:HOH3131 2.1 15.1 1.0 O A:HOH3000 2.1 14.1 1.0 OD1 A:ASP311 2.2 9.8 1.0 NZ A:LYS244 2.2 14.0 1.0 O2G A:GTP2696 2.3 21.8 1.0 NE2 A:HIS264 2.3 12.3 1.0 CG A:ASP311 3.0 11.3 1.0 OD2 A:ASP311 3.1 11.1 1.0 CE1 A:HIS264 3.3 12.0 1.0 CD2 A:HIS264 3.3 12.4 1.0 CE A:LYS244 3.3 14.7 1.0 PG A:GTP2696 3.4 20.4 1.0 O3G A:GTP2696 3.6 20.9 1.0 O1G A:GTP2696 4.0 21.3 1.0 O A:HOH3044 4.1 18.0 1.0 NZ A:LYS290 4.1 14.9 1.0 CE A:LYS290 4.3 13.6 1.0 O A:HOH2976 4.3 18.9 1.0 ND1 A:HIS264 4.4 12.8 1.0 CB A:ASP311 4.4 12.1 1.0 CG A:HIS264 4.4 13.0 1.0 O1 A:EDO2960 4.5 30.4 1.0 O A:HOH3199 4.6 43.0 1.0 CD A:LYS244 4.6 14.9 1.0 O A:HOH3419 4.7 41.2 1.0 O3B A:GTP2696 4.8 20.8 1.0

Manganese binding site 2 out of 3 in the Rat Cytosolic Pepck in Complex with Gtp


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 Gtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn701 b:22.4 occ:1.00 O1B A:GTP2696 2.1 21.8 1.0 O1G A:GTP2696 2.1 21.3 1.0 O A:HOH3068 2.2 16.4 1.0 O A:HOH3044 2.2 18.0 1.0 OG1 A:THR291 2.3 15.1 1.0 O A:HOH3205 2.3 22.1 1.0 PG A:GTP2696 3.2 20.4 1.0 PB A:GTP2696 3.2 20.9 1.0 CB A:THR291 3.4 14.5 1.0 O3B A:GTP2696 3.5 20.8 1.0 O2G A:GTP2696 3.7 21.8 1.0 OD2 A:ASP310 3.8 14.2 1.0 O1A A:GTP2696 3.9 22.9 1.0 O A:HOH2976 4.1 18.9 1.0 N A:THR291 4.1 14.4 1.0 O2B A:GTP2696 4.1 21.4 1.0 NH1 A:ARG405 4.3 16.9 1.0 CA A:THR291 4.3 14.7 1.0 O A:ASP310 4.4 12.7 1.0 O3A A:GTP2696 4.4 22.1 1.0 CG2 A:THR291 4.5 14.8 1.0 CA A:GLY334 4.5 16.9 1.0 O3G A:GTP2696 4.5 20.9 1.0 OD1 A:ASP311 4.6 9.8 1.0 CG A:ASP310 4.6 13.9 1.0 N A:VAL335 4.7 17.1 1.0 O A:HOH3016 4.7 18.7 1.0 O A:PHE333 4.7 16.2 1.0 PA A:GTP2696 4.8 23.0 1.0 O A:HOH3131 4.8 15.1 1.0 CB A:LYS290 5.0 14.2 1.0

Manganese binding site 3 out of 3 in the Rat Cytosolic Pepck in Complex with Gtp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Rat Cytosolic Pepck in Complex with Gtp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn703 b:25.5 occ:0.50 OE2 A:GLU607 2.1 21.8 1.0 NE2 A:HIS502 2.3 23.1 1.0 CD A:GLU607 3.0 20.7 1.0 CE1 A:HIS502 3.0 23.5 1.0 O A:HOH3135 3.1 30.3 1.0 OE1 A:GLU607 3.2 22.0 1.0 CD2 A:HIS502 3.4 22.9 1.0 O A:HOH3111 3.8 36.5 1.0 O A:HOH3367 4.2 40.6 1.0 ND1 A:HIS502 4.2 23.2 1.0 CG A:GLU607 4.4 18.9 1.0 CG A:HIS502 4.4 22.7 1.0 NE2 A:GLN451 4.5 17.4 1.0 O A:LEU498 4.9 15.4 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