Magnesium in PDB 4c13: X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys

All present enzymatic activity of X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys:
6.3.2.7;

The structure of X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys, PDB code: 4c13 was solved by K.M.Ruane, D.I.Roper, V.Fulop, H.Barreteau, A.Boniface, S.Dementin, D.Blanot, D.Mengin-Lecreulx, S.Gobec, A.Dessen, C.G.Dowson, A.J.Lloyd, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.86 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	157.820, 54.030, 70.970, 90.00, 92.02, 90.00
R / Rfree (%)	19.569 / 24.078

The structure of X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys also contains other interesting chemical elements:

Potassium	(K)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Magnesium atom in the X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys (pdb code 4c13). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys, PDB code: 4c13:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg503 b:26.8 occ:1.00 OE1 A:GLU177 2.3 16.2 1.0 OG1 A:THR137 2.5 13.5 1.0 OG1 A:THR115 2.5 10.5 1.0 O4 A:PO4601 2.5 21.6 1.0 CD A:GLU177 3.3 14.1 1.0 CB A:THR137 3.6 13.7 1.0 N A:THR115 3.6 10.6 1.0 CB A:THR115 3.7 10.7 1.0 OE2 A:GLU177 3.7 15.7 1.0 P A:PO4601 3.8 26.2 1.0 O3 A:PO4601 3.8 28.4 1.0 CB A:LYS114 3.9 11.1 1.0 O A:HOH2039 4.0 16.3 1.0 CA A:THR115 4.1 10.8 1.0 CE A:LYS114 4.1 11.2 1.0 CG2 A:THR152 4.3 13.3 1.0 NZ A:LYS114 4.4 12.1 1.0 CG2 A:THR137 4.4 14.2 1.0 C A:LYS114 4.4 10.5 1.0 NH2 A:ARG335 4.6 20.5 1.0 N A:THR137 4.6 12.5 1.0 CG A:GLU177 4.6 12.8 1.0 O2 A:PO4601 4.6 22.9 1.0 OG1 A:THR152 4.6 12.8 1.0 CA A:LYS114 4.7 11.0 1.0 CA A:THR137 4.7 13.6 1.0 O1 A:PO4601 4.9 25.1 1.0 N A:LYS114 4.9 11.3 1.0 CG2 A:THR115 4.9 11.2 1.0

Magnesium binding site 2 out of 2 in the X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg504 b:26.1 occ:1.00 OQ1 A:KCX219 2.7 12.7 1.0 NE2 A:HIS205 2.9 17.5 1.0 O A:HOH2042 2.9 16.8 1.0 NZ A:LYS114 3.0 12.1 1.0 O A:THR111 3.0 13.0 1.0 CX A:KCX219 3.5 12.9 1.0 OQ2 A:KCX219 3.6 12.2 1.0 CD2 A:HIS205 3.6 17.6 1.0 O A:GLY110 3.7 12.2 1.0 CA A:THR111 3.8 12.8 1.0 O A:HOH2040 3.8 23.9 1.0 C A:THR111 3.8 12.9 1.0 OD2 A:ASP204 3.8 19.3 1.0 CE1 A:HIS205 4.0 17.1 1.0 OH A:TYR215 4.0 12.6 1.0 O A:HOH2039 4.3 16.3 1.0 CE A:LYS114 4.3 11.2 1.0 O A:HOH2102 4.5 22.0 1.0 CG2 A:THR111 4.6 14.3 1.0 C A:GLY110 4.6 12.2 1.0 N A:THR111 4.7 12.1 1.0 NZ A:KCX219 4.7 12.7 1.0 CB A:THR111 4.7 13.2 1.0 CG A:ASP204 4.8 18.7 1.0 CG A:HIS205 4.9 18.4 1.0

K.M.Ruane, A.J.Lloyd, V.Fulop, C.G.Dowson, H.Barreteau, A.Boniface, S.Dementin, D.Blanot, D.Mengin-Lecreulx, S.Gobec, A.Dessen, D.I.Roper. Specificity Determinants For Lysine Incorporation in Staphylococcus Aureus Peptidoglycan As Revealed By the Structure of A Mure Enzyme Ternary Complex. J.Biol.Chem. V. 288 33439 2013.
ISSN: ISSN 0021-9258
PubMed: 24064214
DOI: 10.1074/JBC.M113.508135