Magnesium in PDB 4ng4: Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii

All present enzymatic activity of Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii:
2.7.2.3;

The structure of Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii, PDB code: 4ng4 was solved by M.C.Franklin, J.Cheung, M.Rudolph, M.Cassidy, E.Gary, F.Burshteyn, J.Love, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.21 / 2.78
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	158.148, 91.568, 88.412, 90.00, 102.17, 90.00
R / Rfree (%)	27.2 / 31.3

The binding sites of Magnesium atom in the Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii (pdb code 4ng4). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii, PDB code: 4ng4:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:18.9 occ:1.00 OG1 A:THR330 2.4 26.7 1.0 OD1 A:ASP293 2.7 26.9 1.0 O A:PHE326 2.8 28.4 1.0 N A:THR330 3.0 28.2 1.0 CB A:THR330 3.1 27.2 1.0 CA A:GLY319 3.2 23.7 1.0 CG A:ASP293 3.3 28.3 1.0 N A:GLY319 3.3 23.3 1.0 OD2 A:ASP293 3.5 30.8 1.0 CA A:SER327 3.5 32.1 1.0 C A:GLY319 3.5 24.6 1.0 C A:SER327 3.6 32.6 1.0 O A:SER327 3.6 31.9 1.0 CA A:THR330 3.6 27.6 1.0 C A:PHE326 3.7 30.5 1.0 O A:GLY319 3.8 25.2 1.0 N A:GLY329 3.9 30.4 1.0 C A:GLY329 3.9 28.4 1.0 N A:SER327 4.0 31.9 1.0 CA A:GLY329 4.0 28.9 1.0 N A:PHE321 4.1 29.0 1.0 CA A:PHE321 4.1 30.7 1.0 N A:VAL320 4.1 25.2 1.0 CB A:PHE321 4.2 30.6 1.0 C A:ILE318 4.3 22.7 1.0 N A:GLN328 4.4 33.8 1.0 CG2 A:THR330 4.5 26.6 1.0 CB A:ASP293 4.6 27.0 1.0 C A:VAL320 4.6 28.6 1.0 CD1 A:ILE318 4.7 25.1 1.0 CB A:SER327 4.8 34.1 1.0 C A:GLN328 4.8 32.4 1.0 O A:ILE318 4.8 22.1 1.0 C A:THR330 4.9 29.2 1.0 O A:PHE292 4.9 24.3 1.0 CG1 A:ILE318 5.0 23.8 1.0

Magnesium binding site 2 out of 3 in the Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:22.8 occ:1.00 OG1 B:THR330 2.5 26.4 1.0 OD1 B:ASP293 2.8 26.4 1.0 O B:PHE326 2.8 28.1 1.0 N B:THR330 3.0 27.9 1.0 CB B:THR330 3.2 27.2 1.0 CG B:ASP293 3.2 27.4 1.0 OD2 B:ASP293 3.3 30.1 1.0 CA B:GLY319 3.3 23.3 1.0 CA B:SER327 3.4 31.9 1.0 C B:SER327 3.4 32.2 1.0 O B:SER327 3.5 31.5 1.0 N B:GLY319 3.5 22.9 1.0 C B:GLY319 3.6 24.3 1.0 C B:PHE326 3.6 30.1 1.0 CA B:THR330 3.7 27.5 1.0 N B:GLY329 3.8 29.8 1.0 O B:GLY319 3.9 25.0 1.0 N B:SER327 3.9 31.8 1.0 C B:GLY329 3.9 28.0 1.0 CA B:GLY329 4.0 28.3 1.0 N B:PHE321 4.1 28.9 1.0 CA B:PHE321 4.1 30.6 1.0 N B:GLN328 4.2 33.2 1.0 N B:VAL320 4.2 25.0 1.0 CB B:PHE321 4.3 30.5 1.0 C B:ILE318 4.4 22.2 1.0 CB B:ASP293 4.5 26.2 1.0 CG2 B:THR330 4.6 26.7 1.0 C B:VAL320 4.6 28.5 1.0 C B:GLN328 4.6 31.8 1.0 CB B:SER327 4.6 34.1 1.0 CD1 B:ILE318 4.8 24.5 1.0 C B:THR330 4.9 29.2 1.0 O B:ILE318 4.9 21.6 1.0 O B:PHE292 5.0 23.7 1.0 N B:ARG331 5.0 30.9 1.0

Magnesium binding site 3 out of 3 in the Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Phosphoglycerate Kinase (CBU_1782) From Coxiella Burnetii within 5.0Å range: probe atom residue distance (Å) B Occ C:Mg401 b:13.1 occ:1.00 OG1 C:THR330 2.6 25.2 1.0 O C:PHE326 2.7 26.6 1.0 OD1 C:ASP293 2.7 25.8 1.0 N C:THR330 3.1 26.5 1.0 CB C:THR330 3.2 25.5 1.0 CG C:ASP293 3.3 26.7 1.0 CA C:GLY319 3.3 22.6 1.0 CA C:SER327 3.3 29.6 1.0 OD2 C:ASP293 3.4 29.1 1.0 C C:SER327 3.5 29.9 1.0 N C:GLY319 3.5 22.4 1.0 O C:SER327 3.5 29.3 1.0 C C:GLY319 3.6 23.4 1.0 C C:PHE326 3.6 28.3 1.0 CA C:THR330 3.7 25.9 1.0 O C:GLY319 3.8 23.7 1.0 N C:SER327 3.8 29.4 1.0 N C:GLY329 3.9 28.3 1.0 C C:GLY329 4.0 26.8 1.0 N C:PHE321 4.0 27.0 1.0 CA C:PHE321 4.1 28.5 1.0 CA C:GLY329 4.1 27.1 1.0 N C:VAL320 4.1 24.0 1.0 CB C:PHE321 4.2 28.4 1.0 N C:GLN328 4.2 30.8 1.0 C C:ILE318 4.4 22.0 1.0 CB C:ASP293 4.5 25.6 1.0 C C:VAL320 4.5 26.7 1.0 CG2 C:THR330 4.6 25.0 1.0 CB C:SER327 4.6 31.2 1.0 C C:GLN328 4.7 29.9 1.0 O C:PHE292 4.9 23.1 1.0 O C:ILE318 4.9 21.6 1.0 CD1 C:ILE318 4.9 23.9 1.0 C C:THR330 4.9 27.2 1.0 CA C:PHE326 4.9 28.9 1.0

M.C.Franklin, J.Cheung, M.J.Rudolph, F.Burshteyn, M.Cassidy, E.Gary, B.Hillerich, Z.K.Yao, P.R.Carlier, M.Totrov, J.D.Love. Structural Genomics For Drug Design Against the Pathogen Coxiella Burnetii. Proteins V. 83 2124 2015.
ISSN: ISSN 0887-3585
PubMed: 26033498
DOI: 10.1002/PROT.24841