Magnesium in PDB 1gqy: Murc - Crystal Structure of the Enzyme From Haemophilus Influenzae Complexed with Amppcp

All present enzymatic activity of Murc - Crystal Structure of the Enzyme From Haemophilus Influenzae Complexed with Amppcp:
6.3.2.8;

The structure of Murc - Crystal Structure of the Enzyme From Haemophilus Influenzae Complexed with Amppcp, PDB code: 1gqy was solved by T.Skarzynski, A.Cleasby, E.Domenici, M.Gevi, J.Shaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.600, 93.200, 86.800, 90.00, 101.40, 90.00
R / Rfree (%)	18.4 / 23.3

The binding sites of Magnesium atom in the Murc - Crystal Structure of the Enzyme From Haemophilus Influenzae Complexed with Amppcp (pdb code 1gqy). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Murc - Crystal Structure of the Enzyme From Haemophilus Influenzae Complexed with Amppcp, PDB code: 1gqy:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Murc - Crystal Structure of the Enzyme From Haemophilus Influenzae Complexed with Amppcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Murc - Crystal Structure of the Enzyme From Haemophilus Influenzae Complexed with Amppcp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1477 b:24.9 occ:1.00 O1B A:ACP1476 2.3 14.6 1.0 OE1 A:GLU173 2.3 16.3 1.0 O1G A:ACP1476 2.3 19.6 1.0 O A:HOH2125 2.6 47.1 1.0 OG1 A:THR130 2.6 15.2 1.0 CD A:GLU173 3.2 17.4 1.0 OE2 A:GLU173 3.3 22.3 1.0 PB A:ACP1476 3.4 17.1 1.0 PG A:ACP1476 3.4 20.6 1.0 C3B A:ACP1476 3.6 18.4 1.0 CB A:THR130 3.7 15.9 1.0 O A:HOH2413 4.1 26.9 1.0 NH2 A:ARG326 4.1 17.1 1.0 N A:THR130 4.1 14.6 1.0 O A:HOH2146 4.2 29.7 1.0 O2A A:ACP1476 4.3 18.0 1.0 O2B A:ACP1476 4.3 15.1 1.0 O A:HOH2297 4.4 33.5 1.0 O2G A:ACP1476 4.4 20.5 1.0 O3G A:ACP1476 4.4 21.2 1.0 CE A:LYS129 4.4 16.5 1.0 CA A:THR130 4.4 14.2 1.0 CB A:LYS129 4.5 15.7 1.0 O3A A:ACP1476 4.6 17.2 1.0 O A:GLY152 4.6 24.4 1.0 CG A:GLU173 4.6 18.8 1.0 CA A:GLY152 4.7 21.4 1.0 NZ A:LYS129 4.7 16.2 1.0 C A:GLY152 4.8 23.0 1.0 CG2 A:THR130 4.9 16.1 1.0 PA A:ACP1476 5.0 19.5 1.0

Magnesium binding site 2 out of 2 in the Murc - Crystal Structure of the Enzyme From Haemophilus Influenzae Complexed with Amppcp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Murc - Crystal Structure of the Enzyme From Haemophilus Influenzae Complexed with Amppcp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1476 b:21.8 occ:1.00 O1B B:ACP1475 2.3 14.6 1.0 O B:HOH2195 2.3 29.3 1.0 O2G B:ACP1475 2.3 18.5 1.0 OE1 B:GLU173 2.4 18.1 1.0 OG1 B:THR130 2.4 16.4 1.0 CD B:GLU173 3.1 18.1 1.0 OE2 B:GLU173 3.2 19.9 1.0 PB B:ACP1475 3.4 16.4 1.0 CB B:THR130 3.5 15.3 1.0 PG B:ACP1475 3.6 17.2 1.0 C3B B:ACP1475 3.7 14.1 1.0 N B:THR130 3.9 13.0 1.0 NH2 B:ARG326 4.1 18.5 1.0 O B:HOH2512 4.1 23.8 1.0 O2A B:ACP1475 4.3 18.6 1.0 CA B:THR130 4.3 13.6 1.0 O2B B:ACP1475 4.3 15.1 1.0 O B:HOH2212 4.3 23.9 1.0 O B:GLY152 4.4 25.9 1.0 CA B:GLY152 4.4 22.0 1.0 O B:HOH2401 4.5 37.7 1.0 CE B:LYS129 4.5 12.0 1.0 O1G B:ACP1475 4.5 17.0 1.0 O3G B:ACP1475 4.5 17.8 1.0 CB B:LYS129 4.5 12.8 1.0 O B:HOH2004 4.6 44.0 1.0 CG B:GLU173 4.6 16.2 1.0 C B:GLY152 4.6 23.8 1.0 O3A B:ACP1475 4.6 17.4 1.0 CG2 B:THR130 4.7 17.1 1.0 NZ B:LYS129 4.9 12.3 1.0 C B:LYS129 4.9 13.4 1.0 PA B:ACP1475 5.0 18.0 1.0

T.Skarzynski, A.Cleasby, E.Domenici, M.Gevi, J.Shaw. Crystal Structures of Udp-N-Acetylmuramate-L-Alanine Ligase (Murc) From Haemophilus Influenzae To Be Published.