Magnesium in PDB 5boe: Crystal Structure of Staphylococcus Aureus Enolase in Complex with Pep

All present enzymatic activity of Crystal Structure of Staphylococcus Aureus Enolase in Complex with Pep:
4.2.1.11;

The structure of Crystal Structure of Staphylococcus Aureus Enolase in Complex with Pep, PDB code: 5boe was solved by C.L.Wang, Y.F.Wu, L.Han, M.H.Wu, X.Zhang, J.Y.Zang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.60
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	145.154, 145.154, 100.512, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 16.4

The binding sites of Magnesium atom in the Crystal Structure of Staphylococcus Aureus Enolase in Complex with Pep (pdb code 5boe). 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 Staphylococcus Aureus Enolase in Complex with Pep, PDB code: 5boe:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Staphylococcus Aureus Enolase in Complex with Pep


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 Staphylococcus Aureus Enolase in Complex with Pep within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg502 b:11.8 occ:1.00 OD2 A:ASP318 2.3 19.1 1.0 OE2 A:GLU291 2.3 17.0 1.0 O A:HOH687 2.3 25.7 1.0 O2' A:PEP501 2.4 33.7 1.0 O A:HOH686 2.4 19.0 1.0 OD2 A:ASP244 2.4 20.3 1.0 O1 A:PEP501 2.9 38.0 1.0 C1 A:PEP501 3.0 35.3 1.0 CG A:ASP244 3.4 19.7 1.0 CG A:ASP318 3.4 18.0 1.0 CD A:GLU291 3.5 15.4 1.0 OD1 A:ASP244 3.7 19.5 1.0 CB A:ASP318 4.0 17.4 1.0 O A:HOH610 4.0 34.0 1.0 NZ A:LYS394 4.1 17.1 1.0 O A:HOH747 4.2 30.9 1.0 OE1 A:GLU291 4.3 16.6 1.0 NZ A:LYS343 4.4 18.1 1.0 C2 A:PEP501 4.4 36.3 1.0 OD1 A:ASP318 4.4 18.7 1.0 CD2 A:LEU341 4.5 12.9 1.0 OE1 A:GLN165 4.5 20.1 1.0 CG A:GLU291 4.5 14.4 1.0 OD2 A:ASP292 4.5 19.1 1.0 CB A:ASP244 4.7 19.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Staphylococcus Aureus Enolase in Complex with Pep


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 Staphylococcus Aureus Enolase in Complex with Pep within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:10.4 occ:1.00 OE2 B:GLU291 2.3 14.4 1.0 OD2 B:ASP318 2.3 17.4 1.0 O1 B:PEP501 2.3 30.5 1.0 O B:HOH724 2.4 25.5 1.0 OD2 B:ASP244 2.4 18.0 1.0 O B:HOH644 2.5 16.1 1.0 O2' B:PEP501 2.9 36.8 1.0 C1 B:PEP501 2.9 35.0 1.0 CG B:ASP244 3.3 16.8 1.0 CG B:ASP318 3.4 16.7 1.0 CD B:GLU291 3.4 13.8 1.0 OD1 B:ASP244 3.7 15.9 1.0 CB B:ASP318 4.0 15.0 1.0 NZ B:LYS394 4.1 17.0 1.0 O B:HOH748 4.2 30.2 1.0 OE1 B:GLU291 4.2 15.6 1.0 C2 B:PEP501 4.3 35.2 1.0 NZ B:LYS343 4.4 15.7 1.0 CG B:GLU291 4.4 12.9 1.0 OD1 B:ASP318 4.4 16.4 1.0 CD2 B:LEU341 4.4 12.3 1.0 OE1 B:GLN165 4.5 21.4 1.0 OD2 B:ASP292 4.5 15.8 1.0 CB B:ASP244 4.6 16.5 1.0 O2 B:PEP501 5.0 35.2 1.0

Y.Wu, C.Wang, S.Lin, M.Wu, L.Han, C.Tian, X.Zhang, J.Zang. Octameric Structure of Staphylococcus Aureus Enolase in Complex with Phosphoenolpyruvate Acta Crystallogr.,Sect.D V. 71 2457 2015.
ISSN: ESSN 1399-0047
PubMed: 26627653
DOI: 10.1107/S1399004715018830