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Magnesium in PDB 3lq3: Crystal Structure of Human Choline Kinase Beta in Complex with Phosphorylated Hemicholinium-3 and Adenosine Nucleotide

Enzymatic activity of Crystal Structure of Human Choline Kinase Beta in Complex with Phosphorylated Hemicholinium-3 and Adenosine Nucleotide

All present enzymatic activity of Crystal Structure of Human Choline Kinase Beta in Complex with Phosphorylated Hemicholinium-3 and Adenosine Nucleotide:
2.7.1.32; 2.7.1.82;

Protein crystallography data

The structure of Crystal Structure of Human Choline Kinase Beta in Complex with Phosphorylated Hemicholinium-3 and Adenosine Nucleotide, PDB code: 3lq3 was solved by B.S.Hong, W.Tempel, W.M.Rabeh, F.Mackenzie, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, A.Bochkarev, H.W.Park, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 30.00 / 1.42
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 98.175, 73.206, 62.426, 90.00, 117.97, 90.00
R / Rfree (%) 18.7 / 21.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Choline Kinase Beta in Complex with Phosphorylated Hemicholinium-3 and Adenosine Nucleotide (pdb code 3lq3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Human Choline Kinase Beta in Complex with Phosphorylated Hemicholinium-3 and Adenosine Nucleotide, PDB code: 3lq3:

Magnesium binding site 1 out of 1 in 3lq3

Go back to Magnesium Binding Sites List in 3lq3
Magnesium binding site 1 out of 1 in the Crystal Structure of Human Choline Kinase Beta in Complex with Phosphorylated Hemicholinium-3 and Adenosine Nucleotide


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 Human Choline Kinase Beta in Complex with Phosphorylated Hemicholinium-3 and Adenosine Nucleotide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg397

b:13.2
occ:0.50
 O A:HOH403 1.9 21.8 1.0
O2A A:ADP401 2.0 18.4 0.5
O2B A:ADP401 2.1 16.5 0.5
O A:HOH404 2.1 27.4 1.0
OD1 A:ASN247 2.2 13.1 1.0
OD2 A:ASP264 2.4 18.1 1.0
CG A:ASN247 3.2 10.9 1.0
CG A:ASP264 3.3 14.4 1.0
PA A:ADP401 3.3 17.3 0.5
PB A:ADP401 3.3 17.8 0.5
CB A:ASP264 3.4 12.2 1.0
O3A A:ADP401 3.5 16.6 0.5
ND2 A:ASN247 3.6 11.7 1.0
O2P A:AMP402 3.9 28.6 0.5
O1B A:ADP401 4.0 19.6 0.5
C5' A:ADP401 4.2 20.6 0.5
O A:HOH459 4.2 17.6 1.0
OAF A:HC7396 4.2 15.6 1.0
O5' A:ADP401 4.3 20.0 0.5
O A:HOH669 4.3 28.0 1.0
OD1 A:ASP264 4.4 14.3 1.0
O1A A:ADP401 4.4 19.7 0.5
O3B A:ADP401 4.5 19.6 0.5
O A:HOH599 4.5 22.6 1.0
CB A:ASN247 4.6 9.6 1.0
O A:GLY246 4.6 14.5 1.0
O3P A:AMP402 4.6 30.1 0.5
O3' A:ADP401 4.8 21.8 0.5
P A:AMP402 4.8 27.8 0.5
CA A:ASP264 4.9 10.9 1.0
NE2 A:GLN244 4.9 16.9 1.0
C A:GLY246 4.9 12.9 1.0
CA A:ASN247 4.9 10.8 1.0
C3' A:ADP401 4.9 21.3 0.5
OAI A:HC7396 5.0 20.2 1.0

Reference:

B.S.Hong, A.Allali-Hassani, W.Tempel, P.J.Finerty, F.Mackenzie, S.Dimov, M.Vedadi, H.W.Park. Crystal Structures of Human Choline Kinase Isoforms in Complex with Hemicholinium-3: Single Amino Acid Near the Active Site Influences Inhibitor Sensitivity. J.Biol.Chem. V. 285 16330 2010.
ISSN: ISSN 0021-9258
PubMed: 20299452
DOI: 10.1074/JBC.M109.039024
Page generated: Mon Aug 11 00:11:25 2025

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