Manganese in PDB 3ho8: Crystal Structure of S. Aureus Pyruvate Carboxylase in Complex with Coenzyme A

The structure of Crystal Structure of S. Aureus Pyruvate Carboxylase in Complex with Coenzyme A, PDB code: 3ho8 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)	29.97 / 2.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.586, 164.466, 373.346, 90.00, 90.00, 90.00
R / Rfree (%)	26.4 / 32.8

The binding sites of Manganese atom in the Crystal Structure of S. Aureus Pyruvate Carboxylase in Complex with Coenzyme A (pdb code 3ho8). 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 in Complex with Coenzyme A, PDB code: 3ho8:
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 in Complex with Coenzyme A


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 in Complex with Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn2002 b:86.7 occ:1.00 NE2 A:HIS771 2.4 73.9 1.0 CE1 A:HIS773 2.7 75.9 1.0 NE2 A:HIS773 2.7 74.7 1.0 OD1 A:ASP572 2.9 74.8 1.0 OD2 A:ASP572 3.0 74.7 1.0 NZ A:LYS741 3.2 74.1 1.0 CG A:ASP572 3.2 73.7 1.0 CE1 A:HIS771 3.2 73.6 1.0 CD2 A:HIS771 3.4 74.6 1.0 OE1 A:GLN807 3.7 65.0 1.0 ND1 A:HIS773 3.8 76.9 1.0 CD2 A:HIS773 3.8 75.4 1.0 ND1 A:HIS771 4.3 74.7 1.0 CG A:HIS771 4.4 75.4 1.0 CG A:HIS773 4.4 76.2 1.0 CB A:ASP572 4.4 72.0 1.0 CD A:GLN807 4.6 65.0 1.0 NE2 A:GLN807 4.6 63.5 1.0 CE A:LYS741 4.6 75.3 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of S. Aureus Pyruvate Carboxylase in Complex with Coenzyme A


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 in Complex with Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ D:Mn2002 b:65.5 occ:1.00 NE2 D:HIS773 2.3 74.0 1.0 NE2 D:HIS771 2.4 75.6 1.0 OD1 D:ASP572 2.5 71.2 1.0 NZ D:LYS741 2.7 78.4 1.0 CE1 D:HIS773 2.9 73.1 1.0 CG D:ASP572 3.1 71.0 1.0 OD2 D:ASP572 3.1 70.9 1.0 CE1 D:HIS771 3.2 75.2 1.0 CE D:LYS741 3.3 80.2 1.0 CD2 D:HIS771 3.4 77.9 1.0 CD2 D:HIS773 3.5 75.0 1.0 NH2 D:ARG571 3.7 75.1 1.0 ND1 D:HIS773 4.2 73.6 1.0 CD D:LYS741 4.3 82.1 1.0 NE2 D:GLN807 4.4 76.6 1.0 ND1 D:HIS771 4.4 76.8 1.0 CB D:ASP572 4.5 70.5 1.0 CG D:HIS773 4.5 74.9 1.0 CG D:HIS771 4.5 78.0 1.0 CZ D:ARG571 4.6 73.8 1.0 NH1 D:ARG571 4.8 74.2 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of S. Aureus Pyruvate Carboxylase in Complex with Coenzyme A


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 in Complex with Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn2002 b:65.2 occ:1.00 NE2 C:HIS773 2.3 39.5 1.0 OD1 C:ASP572 2.6 33.7 1.0 NE2 C:HIS771 2.7 36.1 1.0 CE1 C:HIS773 2.7 38.4 1.0 NZ C:LYS741 3.1 27.0 1.0 CE1 C:HIS771 3.3 34.6 1.0 CG C:ASP572 3.5 34.7 1.0 OD2 C:ASP572 3.6 33.1 1.0 CD2 C:HIS773 3.6 40.3 1.0 CD2 C:HIS771 3.9 37.1 1.0 ND1 C:HIS773 4.0 38.9 1.0 CG C:HIS773 4.4 39.1 1.0 CE C:LYS741 4.5 29.5 1.0 ND1 C:HIS771 4.5 36.2 1.0 NH2 C:ARG571 4.6 38.7 1.0 CA C:MET743 4.8 33.7 1.0 CG C:HIS771 4.9 36.6 1.0 CB C:ASP572 4.9 35.5 1.0 CB C:MET743 4.9 34.4 1.0 OE1 C:GLN807 5.0 32.3 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of S. Aureus Pyruvate Carboxylase in Complex with Coenzyme A


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 in Complex with Coenzyme A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn2002 b:60.5 occ:1.00 OD1 B:ASP572 2.4 33.3 1.0 NE2 B:HIS773 2.5 35.5 1.0 NE2 B:HIS771 2.5 31.5 1.0 CE1 B:HIS771 2.6 29.8 1.0 CE1 B:HIS773 2.9 35.9 1.0 CG B:ASP572 3.2 31.0 1.0 OD2 B:ASP572 3.4 29.9 1.0 CD2 B:HIS773 3.7 35.2 1.0 CD2 B:HIS771 3.9 31.2 1.0 ND1 B:HIS771 3.9 33.0 1.0 NZ B:LYS741 3.9 28.6 1.0 ND1 B:HIS773 4.1 35.4 1.0 NH2 B:ARG571 4.5 29.3 1.0 OE1 B:GLN807 4.5 25.9 1.0 CG B:HIS771 4.5 32.2 1.0 CG B:HIS773 4.6 34.5 1.0 CB B:ASP572 4.6 31.2 1.0 NE2 B:GLN807 4.6 30.1 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