Manganese in PDB 4qsk: Crystal Structure of L. Monocytogenes Pyruvate Carboxylase in Complex with Cyclic-Di-Amp

All present enzymatic activity of Crystal Structure of L. Monocytogenes Pyruvate Carboxylase in Complex with Cyclic-Di-Amp:
6.4.1.1;

The structure of Crystal Structure of L. Monocytogenes Pyruvate Carboxylase in Complex with Cyclic-Di-Amp, PDB code: 4qsk was solved by P.H.Choi, L.Tong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.68 / 2.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	227.004, 146.857, 96.055, 90.00, 103.54, 90.00
R / Rfree (%)	19.8 / 24.2

The binding sites of Manganese atom in the Crystal Structure of L. Monocytogenes Pyruvate Carboxylase in Complex with Cyclic-Di-Amp (pdb code 4qsk). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of L. Monocytogenes Pyruvate Carboxylase in Complex with Cyclic-Di-Amp, PDB code: 4qsk:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of L. Monocytogenes Pyruvate Carboxylase in Complex with Cyclic-Di-Amp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of L. Monocytogenes Pyruvate Carboxylase in Complex with Cyclic-Di-Amp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn2002 b:91.5 occ:1.00 OD2 A:ASP541 2.1 67.7 1.0 NE2 A:HIS741 2.5 62.0 1.0 NE2 A:HIS739 2.5 69.8 1.0 NZ A:LYS710 3.0 67.2 1.0 CG A:ASP541 3.1 64.7 1.0 CE1 A:HIS739 3.3 76.8 1.0 CE1 A:HIS741 3.3 65.3 1.0 CD2 A:HIS739 3.5 63.8 1.0 OD1 A:ASP541 3.5 59.8 1.0 CD2 A:HIS741 3.5 65.3 1.0 CE A:LYS710 4.4 76.7 1.0 NH2 A:ARG540 4.4 62.0 1.0 ND1 A:HIS739 4.4 74.2 1.0 CB A:ASP541 4.4 53.9 1.0 NE2 A:GLN775 4.5 59.4 1.0 ND1 A:HIS741 4.5 70.2 1.0 CG A:HIS739 4.5 68.2 1.0 CG A:HIS741 4.6 64.0 1.0 CA A:MET712 4.8 59.7 1.0 O A:MET712 4.9 58.1 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of L. Monocytogenes Pyruvate Carboxylase in Complex with Cyclic-Di-Amp


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of L. Monocytogenes Pyruvate Carboxylase in Complex with Cyclic-Di-Amp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1201 b:65.0 occ:1.00 OD2 B:ASP541 2.1 49.9 1.0 NE2 B:HIS739 2.4 51.7 1.0 NE2 B:HIS741 2.5 45.8 1.0 NZ B:LYS710 3.0 58.0 1.0 CG B:ASP541 3.1 47.2 1.0 CE1 B:HIS739 3.2 55.3 1.0 CE1 B:HIS741 3.3 46.6 1.0 CD2 B:HIS739 3.4 45.4 1.0 OD1 B:ASP541 3.5 50.0 1.0 CD2 B:HIS741 3.5 44.6 1.0 NH2 B:ARG540 4.3 39.7 1.0 ND1 B:HIS739 4.3 52.4 1.0 CB B:ASP541 4.3 42.9 1.0 CE B:LYS710 4.4 59.7 1.0 NE2 B:GLN775 4.4 51.5 1.0 CG B:HIS739 4.5 47.0 1.0 ND1 B:HIS741 4.5 60.2 1.0 CG B:HIS741 4.6 53.3 1.0 CA B:MET712 4.8 46.3 1.0 O B:MET712 5.0 55.2 1.0

K.Sureka, P.H.Choi, M.Precit, M.Delince, D.A.Pensinger, T.N.Huynh, A.R.Jurado, Y.A.Goo, M.Sadilek, A.T.Iavarone, J.D.Sauer, L.Tong, J.J.Woodward. The Cyclic Dinucleotide C-Di-Amp Is An Allosteric Regulator of Metabolic Enzyme Function. Cell(Cambridge,Mass.) V. 158 1389 2014.
ISSN: ISSN 0092-8674
PubMed: 25215494
DOI: 10.1016/J.CELL.2014.07.046