Manganese in PDB 6p5o: The Structure of Rat Cytosolic Pepck in Complex with 3- (Carboxymethylthiol)-Picolinic Acid

All present enzymatic activity of The Structure of Rat Cytosolic Pepck in Complex with 3- (Carboxymethylthiol)-Picolinic Acid:
4.1.1.32;

The structure of The Structure of Rat Cytosolic Pepck in Complex with 3- (Carboxymethylthiol)-Picolinic Acid, PDB code: 6p5o was solved by M.J.Mcleod, T.Holyoak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.35 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.409, 118.707, 60.863, 90.00, 109.61, 90.00
R / Rfree (%)	15.9 / 17.9

The structure of The Structure of Rat Cytosolic Pepck in Complex with 3- (Carboxymethylthiol)-Picolinic Acid 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 3- (Carboxymethylthiol)-Picolinic Acid (pdb code 6p5o). 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 3- (Carboxymethylthiol)-Picolinic Acid, PDB code: 6p5o:
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 3- (Carboxymethylthiol)-Picolinic Acid


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 3- (Carboxymethylthiol)-Picolinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn701 b:16.0 occ:1.00 OD1 A:ASP311 2.1 16.2 1.0 O9 A:O2Y703 2.1 17.9 1.0 N2 A:O2Y703 2.2 18.6 1.0 O A:HOH1113 2.2 20.9 1.0 NE2 A:HIS264 2.2 16.1 1.0 NZ A:LYS244 2.3 18.2 1.0 C7 A:O2Y703 2.9 21.9 1.0 C1 A:O2Y703 2.9 20.8 1.0 CG A:ASP311 3.0 15.9 1.0 C3 A:O2Y703 3.1 19.8 1.0 CD2 A:HIS264 3.2 15.2 1.0 CE1 A:HIS264 3.2 15.7 1.0 OD2 A:ASP311 3.3 17.9 1.0 CE A:LYS244 3.3 17.1 1.0 NZ A:LYS290 3.9 28.8 1.0 O8 A:O2Y703 4.1 22.7 1.0 O A:HOH1164 4.2 31.4 1.0 O A:HOH1292 4.3 47.0 1.0 ND1 A:HIS264 4.3 15.5 1.0 C6 A:O2Y703 4.3 21.1 1.0 CG A:HIS264 4.3 14.7 1.0 O A:HOH1176 4.4 23.9 1.0 C4 A:O2Y703 4.4 21.0 1.0 CB A:ASP311 4.4 16.0 1.0 CD A:LYS244 4.7 16.8 1.0 C5 A:O2Y703 4.9 22.0 1.0 CE2 A:PHE485 4.9 16.2 1.0 CZ A:PHE485 5.0 16.2 1.0 O A:ASP311 5.0 15.9 1.0

Manganese binding site 2 out of 2 in the The Structure of Rat Cytosolic Pepck in Complex with 3- (Carboxymethylthiol)-Picolinic Acid


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 3- (Carboxymethylthiol)-Picolinic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn702 b:21.0 occ:1.00 OE2 A:GLU63 2.1 29.4 1.0 CD A:GLU63 3.1 31.1 1.0 CG A:GLU63 3.4 31.6 1.0 OE1 A:GLU63 4.2 31.6 1.0 O A:HOH1317 4.4 23.1 1.0 CE1 A:HIS59 4.6 25.9 1.0 CB A:GLU63 4.8 32.8 1.0

M.J.Mcleod, A.P.Krismanich, A.Assoud, G.I.Dmitrienko, T.Holyoak. Characterization of 3-[(Carboxymethyl)Thio]Picolinic Acid: A Novel Inhibitor of Phosphoenolpyruvate Carboxykinase. Biochemistry V. 58 3918 2019.
ISSN: ISSN 0006-2960
PubMed: 31461616
DOI: 10.1021/ACS.BIOCHEM.9B00583