Magnesium in PDB 5if9: Crystal Structure of Cobyrinic Acid A,C-Diamide Synthase From Mycobacterium Smegmatis with Bound Atp Analog and Magnesium

The structure of Crystal Structure of Cobyrinic Acid A,C-Diamide Synthase From Mycobacterium Smegmatis with Bound Atp Analog and Magnesium, PDB code: 5if9 was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.20 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	88.400, 88.400, 120.300, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.1

The binding sites of Magnesium atom in the Crystal Structure of Cobyrinic Acid A,C-Diamide Synthase From Mycobacterium Smegmatis with Bound Atp Analog and Magnesium (pdb code 5if9). 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 Cobyrinic Acid A,C-Diamide Synthase From Mycobacterium Smegmatis with Bound Atp Analog and Magnesium, PDB code: 5if9:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Cobyrinic Acid A,C-Diamide Synthase From Mycobacterium Smegmatis with Bound Atp Analog and Magnesium


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 Cobyrinic Acid A,C-Diamide Synthase From Mycobacterium Smegmatis with Bound Atp Analog and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1002 b:15.8 occ:1.00 O3G A:ANP1001 2.0 15.7 1.0 O2B A:ANP1001 2.1 15.5 1.0 O A:HOH1148 2.1 14.5 1.0 O A:HOH1114 2.1 14.4 1.0 OG1 A:THR25 2.2 13.1 1.0 O A:HOH1121 2.2 14.0 1.0 PG A:ANP1001 3.2 17.2 1.0 PB A:ANP1001 3.2 15.4 1.0 CB A:THR25 3.3 15.2 1.0 N3B A:ANP1001 3.4 14.4 1.0 N A:THR25 3.9 12.4 1.0 OD1 A:ASP132 4.1 15.2 1.0 O2G A:ANP1001 4.1 14.8 1.0 OD2 A:ASP48 4.1 16.6 1.0 CA A:THR25 4.1 9.3 1.0 O1B A:ANP1001 4.1 16.2 1.0 O2A A:ANP1001 4.1 14.7 1.0 O A:HOH1145 4.2 13.9 1.0 O1G A:ANP1001 4.2 19.5 1.0 OD2 A:ASP132 4.3 15.6 1.0 O3A A:ANP1001 4.3 13.1 1.0 CB A:CYS52 4.4 13.7 1.0 CG2 A:THR25 4.4 16.7 1.0 SG A:CYS52 4.5 18.1 1.0 CB A:LYS24 4.5 16.4 1.0 CG A:ASP132 4.6 12.8 1.0 PA A:ANP1001 4.6 16.2 1.0 CE A:LYS24 4.7 14.9 1.0 O A:HOH1132 4.8 13.8 1.0 O A:CYS133 4.9 14.4 1.0 O1A A:ANP1001 4.9 14.2 1.0 C A:LYS24 4.9 13.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Cobyrinic Acid A,C-Diamide Synthase From Mycobacterium Smegmatis with Bound Atp Analog and Magnesium


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 Cobyrinic Acid A,C-Diamide Synthase From Mycobacterium Smegmatis with Bound Atp Analog and Magnesium within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1002 b:20.6 occ:1.00 O2B B:ANP1001 2.0 20.5 1.0 O2G B:ANP1001 2.0 18.7 1.0 O B:HOH1138 2.1 17.7 1.0 O B:HOH1143 2.2 22.0 1.0 O B:HOH1109 2.2 18.3 1.0 OG1 B:THR25 2.2 15.8 1.0 PB B:ANP1001 3.2 19.6 1.0 PG B:ANP1001 3.2 21.3 1.0 CB B:THR25 3.3 19.0 1.0 N3B B:ANP1001 3.5 15.6 1.0 N B:THR25 3.9 14.6 1.0 OD2 B:ASP132 4.0 18.6 1.0 O1B B:ANP1001 4.1 21.6 1.0 OD2 B:ASP48 4.1 23.2 1.0 CA B:THR25 4.1 15.9 1.0 O3G B:ANP1001 4.2 22.4 1.0 OD1 B:ASP132 4.2 17.7 1.0 O B:HOH1132 4.2 17.5 1.0 O2A B:ANP1001 4.2 20.6 1.0 O1G B:ANP1001 4.3 21.9 1.0 CB B:CYS52 4.3 19.9 1.0 O3A B:ANP1001 4.4 21.8 1.0 CG2 B:THR25 4.4 19.4 1.0 SG B:CYS52 4.5 25.2 1.0 CB B:LYS24 4.5 18.3 1.0 CG B:ASP132 4.5 19.1 1.0 CE B:LYS24 4.5 20.1 1.0 PA B:ANP1001 4.7 23.7 1.0 O B:CYS133 4.9 16.7 1.0 O B:HOH1148 4.9 19.7 1.0 C B:LYS24 4.9 20.6 1.0

D.R.Davies, D.M.Dranow, J.A.Abendroth, Ssgcid. Crystal Structure of Cobyrinic Acid A,C-Diamide Synthase From Mycobacterium Smegmatis with Bound Atp Analog and Magnesium To Be Published.