Manganese in PDB 8gk8: R21A Staphylococcus Aureus Pyruvate Carboxylase

All present enzymatic activity of R21A Staphylococcus Aureus Pyruvate Carboxylase:
6.4.1.1;

The structure of R21A Staphylococcus Aureus Pyruvate Carboxylase, PDB code: 8gk8 was solved by A.J.Laseke, M.St.Maurice, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	60.62 / 2.68
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	93.976, 253.668, 125.657, 90, 110.99, 90
R / Rfree (%)	24.9 / 30.1

The binding sites of Manganese atom in the R21A Staphylococcus Aureus Pyruvate Carboxylase (pdb code 8gk8). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the R21A Staphylococcus Aureus Pyruvate Carboxylase, PDB code: 8gk8:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the R21A Staphylococcus Aureus Pyruvate Carboxylase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of R21A Staphylococcus Aureus Pyruvate Carboxylase within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn1203 b:129.4 occ:1.00 NE2 C:HIS741 2.7 27.3 1.0 OD2 C:ASP542 2.8 29.8 1.0 CE1 C:HIS743 3.1 30.8 1.0 CE1 C:HIS741 3.3 26.9 1.0 CG C:ASP542 3.4 29.0 1.0 OD1 C:ASP542 3.5 29.1 1.0 NE2 C:HIS743 3.8 30.6 1.0 CD2 C:HIS741 3.8 25.4 1.0 ND1 C:HIS743 4.1 31.5 1.0 NE2 C:GLN777 4.3 28.6 1.0 ND1 C:HIS741 4.4 26.9 1.0 NH2 C:ARG541 4.7 27.0 1.0 CG C:HIS741 4.7 24.9 1.0 CB C:ASP542 4.7 26.9 1.0 CD C:LYS712 4.8 28.4 1.0 CG C:LYS712 4.8 29.5 1.0 CA C:MET714 4.8 29.4 1.0 CB C:MET714 5.0 32.1 1.0 CD2 C:HIS743 5.0 31.2 1.0 NZ C:LYS712 5.0 29.7 1.0

Manganese binding site 2 out of 4 in the R21A Staphylococcus Aureus Pyruvate Carboxylase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of R21A Staphylococcus Aureus Pyruvate Carboxylase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn1202 b:74.0 occ:1.00 NE2 B:HIS741 2.7 35.5 1.0 OD2 B:ASP542 2.7 32.8 1.0 NE2 B:HIS743 2.8 31.9 1.0 NZ B:LYS712 2.8 36.8 1.0 CE1 B:HIS741 3.2 35.3 1.0 CG B:ASP542 3.5 28.6 1.0 CE1 B:HIS743 3.5 34.2 1.0 OD1 B:ASP542 3.7 27.9 1.0 CD2 B:HIS741 3.8 33.4 1.0 CD2 B:HIS743 3.9 30.4 1.0 CE B:LYS712 4.1 36.4 1.0 NH2 B:ARG541 4.3 33.2 1.0 ND1 B:HIS741 4.3 35.9 1.0 CG B:HIS741 4.6 34.5 1.0 CB B:ASP542 4.7 25.5 1.0 ND1 B:HIS743 4.7 32.5 1.0 CG B:LYS712 4.9 37.4 1.0 CG B:HIS743 4.9 29.0 1.0

Manganese binding site 3 out of 4 in the R21A Staphylococcus Aureus Pyruvate Carboxylase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of R21A Staphylococcus Aureus Pyruvate Carboxylase within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn1201 b:130.3 occ:1.00 NE2 D:HIS741 2.8 37.4 1.0 OD2 D:ASP542 2.9 34.7 1.0 NE2 D:HIS743 3.3 39.6 1.0 CE1 D:HIS741 3.5 37.1 1.0 CD2 D:HIS741 3.5 36.2 1.0 CE1 D:HIS743 3.8 36.0 1.0 NZ D:LYS712 3.8 47.3 1.0 CG D:ASP542 3.8 33.3 1.0 CD1 D:LEU612 4.1 38.1 1.0 OD1 D:ASP542 4.2 33.4 1.0 NH2 D:ARG541 4.3 29.9 1.0 ND1 D:HIS741 4.4 36.5 1.0 CG D:HIS741 4.5 34.4 1.0 CD2 D:HIS743 4.5 36.6 1.0 CE D:LYS712 4.6 44.9 1.0 CG D:LYS712 4.6 38.8 1.0 ND1 D:HIS743 5.0 33.6 1.0 CD D:LYS712 5.0 39.4 1.0

Manganese binding site 4 out of 4 in the R21A Staphylococcus Aureus Pyruvate Carboxylase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of R21A Staphylococcus Aureus Pyruvate Carboxylase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1203 b:102.3 occ:1.00 NZ A:LYS712 3.0 45.9 1.0 NE2 A:HIS741 3.2 37.9 1.0 OD2 A:ASP542 3.3 38.3 1.0 CE1 A:HIS743 3.4 39.2 1.0 NE2 A:HIS743 3.6 38.8 1.0 OD1 A:ASP542 3.8 34.9 1.0 CE1 A:HIS741 3.9 38.9 1.0 CG A:ASP542 3.9 35.2 1.0 O A:HOH1326 4.0 38.3 1.0 CE A:LYS712 4.1 43.2 1.0 CD2 A:HIS741 4.2 38.0 1.0 CD A:LYS712 4.6 42.4 1.0 CG A:LYS712 4.6 40.5 1.0 ND1 A:HIS743 4.7 36.2 1.0 CB A:MET714 4.8 46.6 1.0 CA A:MET714 4.9 43.0 1.0 CD2 A:HIS743 4.9 34.6 1.0 NH2 A:ARG541 4.9 39.4 1.0 CD2 A:LEU612 4.9 38.0 1.0 ND1 A:HIS741 5.0 38.8 1.0

A.J.Laseke, M.St.Maurice. R21A Staphylococcus Aureus Pyruvate Carboxylase To Be Published.