Magnesium in PDB 2wdo: Crystal Structure of the S. Coelicolor Acps in Complex with Acetyl-Coa at 1.5 A

All present enzymatic activity of Crystal Structure of the S. Coelicolor Acps in Complex with Acetyl-Coa at 1.5 A:
2.7.8.7;

The structure of Crystal Structure of the S. Coelicolor Acps in Complex with Acetyl-Coa at 1.5 A, PDB code: 2wdo 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 / 1.56
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	72.833, 72.833, 72.833, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 23.2

The binding sites of Magnesium atom in the Crystal Structure of the S. Coelicolor Acps in Complex with Acetyl-Coa at 1.5 A (pdb code 2wdo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the S. Coelicolor Acps in Complex with Acetyl-Coa at 1.5 A, PDB code: 2wdo:

Magnesium binding site 1 out of 1 in the Crystal Structure of the S. Coelicolor Acps in Complex with Acetyl-Coa at 1.5 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 S. Coelicolor Acps in Complex with Acetyl-Coa at 1.5 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1124 b:26.9 occ:1.00 O A:HOH2220 3.1 38.5 1.0 OD2 A:ASP111 3.2 39.8 0.6 O2A A:COA1126 3.2 7.2 0.2 O4A A:ACO1125 3.2 20.8 0.8 O4A A:COA1126 3.3 6.2 0.2 O2A A:ACO1125 3.3 16.0 0.8 OG A:SER109 3.9 19.6 1.0 CB A:ASP111 3.9 35.4 0.6 O A:HOH2217 3.9 29.6 1.0 CG A:ASP111 4.0 38.0 0.6 O3A A:ACO1125 4.1 15.9 0.8 P1A A:ACO1125 4.1 14.5 0.8 P1A A:COA1126 4.2 9.3 0.2 P2A A:ACO1125 4.3 17.2 0.8 O1A A:COA1126 4.3 10.9 0.2 O A:HOH2221 4.4 40.2 1.0 P2A A:COA1126 4.5 12.8 0.2 O1A A:ACO1125 4.6 16.0 0.8 O3A A:COA1126 4.6 6.7 0.2

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