Magnesium in PDB 2wdy: Crystal Structure of the Streptomyces Coelicolor D111A Acps Mutant in Complex with Cofactor Coa at 1.4 A

All present enzymatic activity of Crystal Structure of the Streptomyces Coelicolor D111A Acps Mutant in Complex with Cofactor Coa at 1.4 A:
2.7.8.7;

The structure of Crystal Structure of the Streptomyces Coelicolor D111A Acps Mutant in Complex with Cofactor Coa at 1.4 A, PDB code: 2wdy was solved by P.Dall'aglio, C.Arthur, M.P.Crump, J.Crosby, A.T.Hadfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	51.50 / 1.40
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	72.831, 72.831, 72.831, 90.00, 90.00, 90.00
R / Rfree (%)	18.875 / 21.498

The structure of Crystal Structure of the Streptomyces Coelicolor D111A Acps Mutant in Complex with Cofactor Coa at 1.4 A also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of the Streptomyces Coelicolor D111A Acps Mutant in Complex with Cofactor Coa at 1.4 A (pdb code 2wdy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of the Streptomyces Coelicolor D111A Acps Mutant in Complex with Cofactor Coa at 1.4 A, PDB code: 2wdy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of the Streptomyces Coelicolor D111A Acps Mutant in Complex with Cofactor Coa at 1.4 A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Streptomyces Coelicolor D111A Acps Mutant in Complex with Cofactor Coa at 1.4 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1124 b:23.1 occ:0.50 MG A:MG1126 2.0 15.4 0.5 O A:HOH2202 2.6 27.7 1.0 O5A A:COA1128 2.8 25.6 0.5 O4A A:COA1128 3.0 16.0 0.5 O2A A:COA1128 3.0 12.9 0.5 O2A A:COA1128 3.1 16.0 0.5 P1A A:COA1128 3.7 12.7 0.5 OG A:SER109 3.8 16.4 1.0 CB A:ALA111 3.8 22.4 1.0 O3A A:COA1128 3.8 14.2 0.5 P2A A:COA1128 3.9 17.1 0.5 O1A A:COA1128 3.9 13.0 0.5 P2A A:COA1128 4.0 26.0 0.5 O3A A:COA1128 4.2 21.3 0.5 O A:HIS110 4.2 24.8 1.0 P1A A:COA1128 4.2 18.9 0.5 CCP A:COA1128 4.5 37.0 0.5 O6A A:COA1128 4.6 30.6 0.5 C A:HIS110 4.6 22.1 1.0 O5A A:COA1128 4.7 21.3 0.5 O A:HOH2194 4.8 19.7 1.0 CA A:ALA111 4.9 20.5 1.0 N A:ALA111 4.9 18.2 1.0 N A:HIS110 5.0 18.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of the Streptomyces Coelicolor D111A Acps Mutant in Complex with Cofactor Coa at 1.4 A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of the Streptomyces Coelicolor D111A Acps Mutant in Complex with Cofactor Coa at 1.4 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1126 b:15.4 occ:0.50 O4A A:COA1128 1.2 16.0 0.5 MG A:MG1124 2.0 23.1 0.5 O2A A:COA1128 2.1 12.9 0.5 O5A A:COA1128 2.2 25.6 0.5 O2A A:COA1128 2.2 16.0 0.5 P2A A:COA1128 2.2 17.1 0.5 O A:HOH2202 2.5 27.7 1.0 O3A A:COA1128 2.6 14.2 0.5 P1A A:COA1128 2.8 12.7 0.5 O6A A:COA1128 3.3 18.2 0.5 P1A A:COA1128 3.3 18.9 0.5 O5A A:COA1128 3.4 21.3 0.5 P2A A:COA1128 3.4 26.0 0.5 O3A A:COA1128 3.7 21.3 0.5 O1A A:COA1128 3.7 13.0 0.5 OG A:SER109 4.0 16.4 1.0 O5B A:COA1128 4.0 17.6 0.5 O5B A:COA1128 4.0 10.6 0.5 O4A A:COA1128 4.3 30.2 0.5 CCP A:COA1128 4.5 17.7 0.5 O1A A:COA1128 4.6 17.9 0.5 O6A A:COA1128 4.6 30.6 0.5 CCP A:COA1128 4.9 37.0 0.5

P.Dall'aglio, C.Arthur, C.Williams, K.Vasilakis, H.J.Maple, J.Crosby, M.P.Crump, A.T.Hadfield. Analysis of Streptomyces Coelicolor Phosphopantetheinyl Transferase, Acps, Reveals the Basis For Relaxed Substrate Specificity. Biochemistry V. 50 5704 2011.
ISSN: ISSN 0006-2960
PubMed: 21595442
DOI: 10.1021/BI2003668