Manganese in PDB 3hbl: Crystal Structure of S. Aureus Pyruvate Carboxylase T908A Mutant

The structure of Crystal Structure of S. Aureus Pyruvate Carboxylase T908A Mutant, PDB code: 3hbl was solved by L.Tong, L.P.C.Yu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.95 / 2.71
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	96.532, 257.154, 130.318, 90.00, 114.35, 90.00
R / Rfree (%)	22.8 / 27.9

The binding sites of Manganese atom in the Crystal Structure of S. Aureus Pyruvate Carboxylase T908A Mutant (pdb code 3hbl). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of S. Aureus Pyruvate Carboxylase T908A Mutant, PDB code: 3hbl:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of S. Aureus Pyruvate Carboxylase T908A Mutant


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 S. Aureus Pyruvate Carboxylase T908A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn2002 b:54.1 occ:1.00 OD1 A:ASP572 2.4 30.1 1.0 NE2 A:HIS773 2.4 29.6 1.0 NE2 A:HIS771 2.4 32.3 1.0 NZ A:LYS741 3.0 30.1 1.0 CE1 A:HIS773 3.2 29.9 1.0 CG A:ASP572 3.2 28.6 1.0 OD2 A:ASP572 3.4 28.4 1.0 CE1 A:HIS771 3.4 31.3 1.0 CD2 A:HIS771 3.4 30.2 1.0 CD2 A:HIS773 3.5 29.3 1.0 ND1 A:HIS773 4.4 28.9 1.0 CE A:LYS741 4.5 30.5 1.0 ND1 A:HIS771 4.5 31.1 1.0 OE1 A:GLN807 4.5 28.2 1.0 CG A:HIS771 4.5 29.6 1.0 CG A:HIS773 4.6 28.0 1.0 CB A:ASP572 4.6 27.9 1.0 NH2 A:ARG571 4.7 27.1 1.0 NH1 A:ARG571 4.8 27.1 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of S. Aureus Pyruvate Carboxylase T908A Mutant


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 S. Aureus Pyruvate Carboxylase T908A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2002 b:75.8 occ:1.00 NE2 B:HIS771 2.1 52.8 1.0 NE2 B:HIS773 2.5 52.7 1.0 OD1 B:ASP572 2.5 51.3 1.0 NZ B:LYS741 2.6 46.7 1.0 CD2 B:HIS771 3.0 53.1 1.0 CE1 B:HIS771 3.0 51.5 1.0 CE1 B:HIS773 3.2 51.8 1.0 CG B:ASP572 3.6 49.2 1.0 CD2 B:HIS773 3.6 53.1 1.0 CE B:LYS741 4.0 48.1 1.0 OD2 B:ASP572 4.0 49.5 1.0 ND1 B:HIS771 4.0 52.5 1.0 CG B:HIS771 4.0 52.9 1.0 ND1 B:HIS773 4.3 52.0 1.0 CG B:HIS773 4.6 51.8 1.0 NH2 B:ARG571 4.6 45.1 1.0 CG B:LYS741 4.6 49.5 1.0 NE2 B:GLN807 4.7 50.8 1.0 CD B:LYS741 4.8 49.5 1.0 CB B:ASP572 4.8 47.8 1.0 CA B:MET743 5.0 49.2 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of S. Aureus Pyruvate Carboxylase T908A Mutant


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of S. Aureus Pyruvate Carboxylase T908A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn2002 b:0.8 occ:1.00 NE2 C:HIS771 2.2 52.2 1.0 NE2 C:HIS773 2.3 48.9 1.0 OD1 C:ASP572 2.5 49.9 1.0 CE1 C:HIS771 2.9 51.5 1.0 CE1 C:HIS773 3.1 48.0 1.0 NZ C:LYS741 3.2 48.5 1.0 CG C:ASP572 3.2 49.4 1.0 OD2 C:ASP572 3.3 49.6 1.0 CD2 C:HIS771 3.4 52.7 1.0 CD2 C:HIS773 3.5 49.2 1.0 ND1 C:HIS771 4.1 51.2 1.0 CE C:LYS741 4.3 51.1 1.0 ND1 C:HIS773 4.3 48.4 1.0 NH2 C:ARG571 4.4 50.3 1.0 CG C:HIS771 4.4 51.4 1.0 OE1 C:GLN807 4.4 48.1 1.0 CG C:HIS773 4.5 48.8 1.0 CB C:ASP572 4.5 48.4 1.0 O C:MET743 4.9 49.5 1.0 CA C:MET743 4.9 50.6 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of S. Aureus Pyruvate Carboxylase T908A Mutant


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of S. Aureus Pyruvate Carboxylase T908A Mutant within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn2002 b:54.0 occ:1.00 OD1 D:ASP572 2.3 30.3 1.0 NE2 D:HIS773 2.4 27.8 1.0 NE2 D:HIS771 2.4 26.8 1.0 NZ D:LYS741 3.0 25.8 1.0 CE1 D:HIS773 3.2 28.1 1.0 CG D:ASP572 3.3 29.3 1.0 CD2 D:HIS771 3.3 26.3 1.0 CE1 D:HIS771 3.4 25.2 1.0 CD2 D:HIS773 3.5 29.3 1.0 OD2 D:ASP572 3.7 30.0 1.0 NH2 D:ARG571 4.4 30.4 1.0 CE D:LYS741 4.4 26.6 1.0 ND1 D:HIS773 4.4 26.8 1.0 CG D:HIS771 4.5 25.8 1.0 ND1 D:HIS771 4.5 25.9 1.0 CG D:HIS773 4.6 27.4 1.0 CB D:ASP572 4.6 28.4 1.0 OE1 D:GLN807 4.8 29.5 1.0 CA D:MET743 5.0 28.6 1.0

L.P.Yu, S.Xiang, G.Lasso, D.Gil, M.Valle, L.Tong. A Symmetrical Tetramer For S. Aureus Pyruvate Carboxylase in Complex with Coenzyme A. Structure V. 17 823 2009.
ISSN: ISSN 0969-2126
PubMed: 19523900
DOI: 10.1016/J.STR.2009.04.008