Magnesium in PDB 2y4o: Crystal Structure of PAAK2 in Complex with Phenylacetyl Adenylate

All present enzymatic activity of Crystal Structure of PAAK2 in Complex with Phenylacetyl Adenylate:
6.2.1.30;

The structure of Crystal Structure of PAAK2 in Complex with Phenylacetyl Adenylate, PDB code: 2y4o was solved by A.Law, M.J.Boulanger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.99 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.150, 81.970, 80.890, 90.00, 97.27, 90.00
R / Rfree (%)	16.558 / 21.404

The structure of Crystal Structure of PAAK2 in Complex with Phenylacetyl Adenylate also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of PAAK2 in Complex with Phenylacetyl Adenylate (pdb code 2y4o). 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 PAAK2 in Complex with Phenylacetyl Adenylate, PDB code: 2y4o:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of PAAK2 in Complex with Phenylacetyl Adenylate


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 PAAK2 in Complex with Phenylacetyl Adenylate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1439 b:19.7 occ:1.00 O A:HOH2244 2.1 35.6 1.0 O A:SER209 2.7 15.3 1.0 O A:VAL233 2.8 11.8 1.0 O A:LEU211 2.9 14.6 1.0 O A:HOH2264 3.0 26.1 1.0 O A:HOH2241 3.2 25.1 1.0 O A:HOH2245 3.3 31.2 1.0 O A:ALA207 3.5 19.5 1.0 OG A:SER209 3.6 24.8 1.0 C A:SER209 3.6 16.9 1.0 O A:GLY234 3.9 14.9 1.0 N A:SER209 4.0 20.1 1.0 C A:LEU211 4.0 13.2 1.0 C A:VAL233 4.0 11.6 1.0 N A:LEU211 4.1 13.7 1.0 CA A:SER209 4.2 18.5 1.0 C A:ALA207 4.2 17.7 1.0 C A:GLY234 4.4 14.4 1.0 CB A:SER209 4.5 19.0 1.0 C A:SER210 4.5 11.7 1.0 CA A:LEU211 4.5 13.6 1.0 CA A:GLY234 4.5 14.3 1.0 CA A:ALA207 4.6 15.4 1.0 N A:SER210 4.6 13.4 1.0 O A:PRO206 4.6 15.4 1.0 CD A:LYS212 4.7 31.8 1.0 CG2 A:ILE235 4.7 16.2 1.0 CB A:LEU211 4.7 11.8 1.0 N A:GLY234 4.7 12.2 1.0 CG1 A:VAL233 4.7 11.4 1.0 CA A:SER210 4.9 14.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of PAAK2 in Complex with Phenylacetyl Adenylate


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 PAAK2 in Complex with Phenylacetyl Adenylate within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1445 b:24.5 occ:1.00 O B:HOH2303 2.3 27.1 1.0 O B:VAL233 2.7 14.5 1.0 O B:LEU211 2.8 14.8 1.0 O B:HOH2306 2.9 32.9 1.0 O B:SER209 2.9 19.4 1.0 O B:HOH2308 3.2 29.7 1.0 O B:HOH2299 3.2 25.5 1.0 OG B:SER209 3.6 29.1 1.0 O B:ALA207 3.6 22.8 1.0 O B:GLY234 3.8 14.8 1.0 C B:SER209 3.8 18.9 1.0 C B:VAL233 3.9 12.1 1.0 C B:LEU211 3.9 15.6 1.0 N B:LEU211 4.1 15.4 1.0 N B:SER209 4.1 20.6 1.0 C B:GLY234 4.3 13.3 1.0 C B:ALA207 4.3 18.6 1.0 CA B:SER209 4.3 20.5 1.0 CA B:GLY234 4.4 13.6 1.0 CA B:LEU211 4.4 14.2 1.0 CB B:SER209 4.5 22.0 1.0 C B:SER210 4.5 15.8 1.0 CG2 B:ILE235 4.6 15.4 1.0 CG1 B:VAL233 4.6 12.6 1.0 N B:GLY234 4.6 12.3 1.0 CA B:ALA207 4.6 18.7 1.0 CB B:LEU211 4.7 13.7 1.0 N B:SER210 4.7 16.3 1.0 O B:PRO206 4.8 18.6 1.0 CA B:VAL233 5.0 14.7 1.0 NZ B:LYS212 5.0 28.9 1.0

A.Law, M.J.Boulanger. Defining A Structural and Kinetic Rationale For Paralogous Copies of Phenylacetate-Coa Ligases From the Cystic Fibrosis Pathogen Burkholderia Cenocepacia J2315. J.Biol.Chem. V. 286 15577 2011.
ISSN: ISSN 0021-9258
PubMed: 21388965
DOI: 10.1074/JBC.M111.219683