Magnesium in PDB 1yqz: Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution

The structure of Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution, PDB code: 1yqz was solved by T.C.Mallett, J.R.Wallen, H.Sakai, J.Luba, D.Parsonage, P.A.Karplus, T.Tsukihara, A.Claiborne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.54
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	76.060, 65.200, 94.490, 90.00, 104.80, 90.00
R / Rfree (%)	17.7 / 20.6

The structure of Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution also contains other interesting chemical elements:

Chlorine

(Cl)

6 atoms

The binding sites of Magnesium atom in the Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution (pdb code 1yqz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution, PDB code: 1yqz:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2002 b:27.1 occ:1.00 O A:HOH3416 1.9 34.7 1.0 O A:HOH3433 2.0 32.8 1.0 O A:HOH3439 2.0 35.8 1.0 O A:HOH3546 2.1 36.0 1.0 O A:HOH3313 2.1 29.6 1.0 O A:HOH3372 4.3 34.4 1.0 O A:HOH3398 4.9 33.1 1.0

Magnesium binding site 2 out of 3 in the Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2001 b:17.9 occ:1.00 O B:HOH3133 2.0 19.8 1.0 O B:HOH3075 2.1 18.4 1.0 O B:HOH3110 2.1 22.8 1.0 O B:HOH3358 3.7 39.1 1.0 O B:HOH3047 4.0 16.6 1.0 O B:HOH3117 4.3 20.6 1.0 CL B:CL3006 4.4 24.5 1.0 OD1 B:ASN85 4.5 13.7 1.0 O B:HOH3230 4.8 27.5 1.0

Magnesium binding site 3 out of 3 in the Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus Refined at 1.54 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg2003 b:26.7 occ:1.00 O A:HOH3371 1.9 30.8 1.0 O B:HOH3183 2.0 28.1 1.0 O A:HOH3188 2.0 22.9 1.0 O B:HOH3251 2.1 26.6 1.0 O A:HOH3601 2.1 41.0 1.0 O8A A:COA441 3.8 38.7 1.0 O A:HOH3136 3.9 23.7 1.0 O B:THR354 3.9 19.8 1.0 O7A A:COA441 4.1 50.8 1.0 P3B A:COA441 4.6 43.6 1.0 CL B:CL3004 4.8 24.6 1.0

T.C.Mallett, J.R.Wallen, P.A.Karplus, H.Sakai, T.Tsukihara, A.Claiborne. Structure of Coenzyme A-Disulfide Reductase From Staphylococcus Aureus at 1.54 A Resolution. Biochemistry V. 45 11278 2006.
ISSN: ISSN 0006-2960
PubMed: 16981688
DOI: 10.1021/BI061139A