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

Enzymatic activity of 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;

Protein crystallography data

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

Magnesium Binding Sites:

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 4ng4

Go back to Magnesium Binding Sites List in 4ng4
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 4ng4

Go back to Magnesium Binding Sites List in 4ng4
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 4ng4

Go back to Magnesium Binding Sites List in 4ng4
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

Reference:

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
Page generated: Mon Aug 11 20:42:47 2025

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