Magnesium in PDB 4c12: X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys and Adp

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

The structure of X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys and Adp, PDB code: 4c12 was solved by V.Fulop, D.I.Roper, K.M.Ruane, 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)	52.23 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	158.540, 54.290, 71.190, 90.00, 91.60, 90.00
R / Rfree (%)	16.016 / 19.716

The binding sites of Magnesium atom in the X-Ray Crystal Structure of Staphylococcus Aureus Mure with Udp-Murnac-Ala-Glu-Lys and Adp (pdb code 4c12). 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 and Adp, PDB code: 4c12:
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 and Adp


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 and Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1500 b:31.3 occ:1.00 O2B A:ADP1499 2.2 20.9 1.0 OG1 A:THR137 2.3 16.6 1.0 OE1 A:GLU177 2.3 16.0 1.0 OG1 A:THR115 2.4 10.4 1.0 O A:HOH2152 2.5 19.9 1.0 O A:HOH2181 2.7 26.5 1.0 CD A:GLU177 3.3 15.0 1.0 CB A:THR137 3.3 13.6 1.0 PB A:ADP1499 3.4 20.8 1.0 OE2 A:GLU177 3.6 15.9 1.0 CB A:THR115 3.7 9.3 1.0 O3B A:ADP1499 3.7 23.9 1.0 N A:THR115 3.8 8.7 1.0 CG2 A:THR152 4.1 17.1 1.0 OG1 A:THR152 4.1 19.2 1.0 CA A:THR115 4.2 8.7 1.0 CG2 A:THR137 4.3 16.6 1.0 CB A:LYS114 4.3 9.4 1.0 O1B A:ADP1499 4.3 16.5 1.0 N A:THR137 4.3 12.2 1.0 O1A A:ADP1499 4.3 17.7 1.0 CE A:LYS114 4.4 12.4 1.0 CA A:THR137 4.4 14.4 1.0 CG A:GLU177 4.6 9.0 1.0 O3A A:ADP1499 4.6 18.0 1.0 C A:LYS114 4.6 8.5 1.0 NH2 A:ARG335 4.7 15.9 1.0 O A:HOH2151 4.7 21.1 1.0 NZ A:LYS114 4.8 13.9 1.0 CB A:THR152 4.8 15.9 1.0 CG2 A:THR115 4.8 9.6 1.0 CB A:GLU177 4.9 8.7 1.0 O A:HOH2396 4.9 28.9 1.0 CA A:LYS114 5.0 9.6 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 and Adp


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 and Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1501 b:19.6 occ:1.00 NE2 A:HIS205 2.7 19.9 1.0 OQ2 A:KCX219 2.7 13.8 1.0 O A:THR111 2.9 11.0 1.0 O A:HOH2151 3.1 21.1 1.0 NZ A:LYS114 3.1 13.9 1.0 O A:HOH2150 3.1 10.8 1.0 O A:HOH2250 3.2 35.6 1.0 CD2 A:HIS205 3.4 17.6 1.0 O A:HOH2143 3.5 21.8 1.0 CX A:KCX219 3.5 13.6 1.0 OQ1 A:KCX219 3.6 11.7 1.0 C A:THR111 3.7 11.8 1.0 CA A:THR111 3.8 11.2 1.0 CE1 A:HIS205 3.8 20.6 1.0 OD2 A:ASP204 3.9 22.4 1.0 O A:GLY110 3.9 11.7 1.0 OH A:TYR215 4.0 13.8 1.0 CE A:LYS114 4.3 12.4 1.0 CG2 A:THR111 4.4 12.5 1.0 CG A:HIS205 4.6 21.1 1.0 O1B A:ADP1499 4.6 16.5 1.0 CB A:THR111 4.7 11.8 1.0 CG A:ASP204 4.8 22.2 1.0 NZ A:KCX219 4.8 10.4 1.0 C A:GLY110 4.8 11.1 1.0 N A:THR111 4.8 11.5 1.0 ND1 A:HIS205 4.8 21.7 1.0 O A:HOH2248 4.8 29.5 1.0 CB A:ASP204 5.0 19.9 1.0 N A:ASN112 5.0 11.3 1.0 O A:HOH2223 5.0 8.7 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