Manganese in PDB 2rkd: The Structure of Rat Cytosolic Pepck in Complex with 3- Phosphonopropionate

All present enzymatic activity of The Structure of Rat Cytosolic Pepck in Complex with 3- Phosphonopropionate:
4.1.1.32;

The structure of The Structure of Rat Cytosolic Pepck in Complex with 3- Phosphonopropionate, PDB code: 2rkd 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)	33.98 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.294, 119.397, 60.762, 90.00, 108.66, 90.00
R / Rfree (%)	18.7 / 23.3

The structure of The Structure of Rat Cytosolic Pepck in Complex with 3- Phosphonopropionate 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- Phosphonopropionate (pdb code 2rkd). 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- Phosphonopropionate, PDB code: 2rkd:
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- Phosphonopropionate


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- Phosphonopropionate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn700 b:18.1 occ:1.00 O A:HOH999 2.1 21.8 1.0 O2 A:3PP703 2.1 20.4 0.8 OD1 A:ASP311 2.1 12.5 1.0 NZ A:LYS244 2.2 10.7 1.0 NE2 A:HIS264 2.3 9.3 1.0 O A:HOH937 2.4 21.5 1.0 CG A:ASP311 3.1 12.6 1.0 CD2 A:HIS264 3.3 8.1 1.0 CE A:LYS244 3.3 10.0 1.0 OD2 A:ASP311 3.3 14.3 1.0 CE1 A:HIS264 3.3 8.1 1.0 P A:3PP703 3.4 20.8 0.8 O1 A:3PP703 3.7 20.1 0.8 NZ A:LYS290 4.1 20.4 1.0 O A:HOH1010 4.2 26.1 1.0 O3 A:3PP703 4.3 21.7 0.8 O A:HOH974 4.4 22.1 1.0 ND1 A:HIS264 4.4 8.1 1.0 CG A:HIS264 4.4 7.8 1.0 CB A:ASP311 4.5 12.7 1.0 CB A:3PP703 4.5 19.8 0.8 CD A:LYS244 4.6 9.8 1.0 O A:HOH1076 4.7 30.7 1.0 O A:HOH1050 4.9 30.3 1.0 CZ A:PHE485 4.9 7.2 1.0 CE2 A:PHE485 5.0 7.1 1.0

Manganese binding site 2 out of 2 in the The Structure of Rat Cytosolic Pepck in Complex with 3- Phosphonopropionate


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- Phosphonopropionate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn701 b:48.3 occ:1.00 O A:HOH1083 2.3 38.3 1.0 NE2 A:HIS502 2.3 17.7 1.0 O A:HOH1162 2.5 29.9 1.0 OE2 A:GLU607 2.6 20.5 1.0 O A:HOH827 2.8 22.4 1.0 CD A:GLU607 3.0 18.9 1.0 OE1 A:GLU607 3.1 21.8 1.0 CE1 A:HIS502 3.1 17.9 1.0 CD2 A:HIS502 3.4 17.4 1.0 CG A:GLU607 4.1 14.5 1.0 O A:HOH883 4.3 29.4 1.0 ND1 A:HIS502 4.3 17.9 1.0 O A:HOH1100 4.4 37.9 1.0 CG A:HIS502 4.5 17.2 1.0 NE2 A:GLN451 4.6 14.5 1.0 O A:HOH1165 4.8 39.1 1.0 O A:LEU498 4.8 9.9 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