Atomistry » Magnesium » PDB 3fzn-3g8c » 3g15
Atomistry »
  Magnesium »
    PDB 3fzn-3g8c »
      3g15 »

Magnesium in PDB 3g15: Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp

Enzymatic activity of Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp

All present enzymatic activity of Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp:
2.7.1.32;

Protein crystallography data

The structure of Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp, PDB code: 3g15 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 / 1.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.802, 118.986, 131.039, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 25.7

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp (pdb code 3g15). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp, PDB code: 3g15:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3g15

Go back to Magnesium Binding Sites List in 3g15
Magnesium binding site 1 out of 4 in the Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp


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 Alpha in Complex with Hemicholinium-3 and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:27.8
occ:1.00
 O2B A:ADP601 2.0 32.5 1.0
O2A A:ADP601 2.1 34.5 1.0
OD1 A:ASN311 2.1 18.0 1.0
O2 A:SO4604 2.1 28.8 1.0
OD1 A:ASP330 2.1 28.3 1.0
O A:HOH49 2.1 29.2 1.0
PB A:ADP601 3.1 40.2 1.0
CG A:ASN311 3.1 20.1 1.0
CG A:ASP330 3.1 24.4 1.0
S A:SO4604 3.3 38.1 1.0
PA A:ADP601 3.3 33.9 1.0
O4 A:SO4604 3.4 33.7 1.0
O3A A:ADP601 3.5 34.3 1.0
ND2 A:ASN311 3.5 20.4 1.0
CB A:ASP330 3.6 21.0 1.0
O1B A:ADP601 3.6 37.3 1.0
MG A:MG605 3.6 33.9 1.0
O3 A:SO4604 4.0 35.0 1.0
OD2 A:ASP330 4.2 26.1 1.0
O5' A:ADP601 4.3 34.2 1.0
C5' A:ADP601 4.3 33.2 1.0
O A:GLY310 4.3 21.3 1.0
O1A A:ADP601 4.4 33.7 1.0
CB A:ASN311 4.4 18.4 1.0
O3B A:ADP601 4.4 38.7 1.0
O1 A:SO4604 4.5 29.0 1.0
O A:HOH39 4.5 27.7 1.0
C A:GLY310 4.7 19.5 1.0
CA A:ASN311 4.7 18.6 1.0
N A:ASN311 4.8 17.4 1.0
O3' A:ADP601 4.8 32.1 1.0

Magnesium binding site 2 out of 4 in 3g15

Go back to Magnesium Binding Sites List in 3g15
Magnesium binding site 2 out of 4 in the Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp


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 Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg605

b:33.9
occ:1.00
 OE2 A:GLU332 1.7 42.1 1.0
O4 A:SO4604 1.8 33.7 1.0
O1B A:ADP601 2.1 37.3 1.0
OD1 A:ASP330 2.2 28.3 1.0
O A:HOH39 2.6 27.7 1.0
OD2 A:ASP330 2.7 26.1 1.0
CG A:ASP330 2.8 24.4 1.0
CD A:GLU332 2.8 38.6 1.0
S A:SO4604 3.1 38.1 1.0
PB A:ADP601 3.3 40.2 1.0
CG A:GLU332 3.4 32.9 1.0
O2B A:ADP601 3.4 32.5 1.0
O2 A:SO4604 3.6 28.8 1.0
O A:HOH50 3.6 31.4 1.0
MG A:MG602 3.6 27.8 1.0
OE1 A:GLU332 3.9 41.0 1.0
O1 A:SO4604 4.0 29.0 1.0
O3 A:SO4604 4.1 35.0 1.0
OD2 A:ASP306 4.2 17.9 1.0
CE2 A:TYR333 4.3 20.6 1.0
CB A:ASP330 4.3 21.0 1.0
O3A A:ADP601 4.3 34.3 1.0
O3B A:ADP601 4.4 38.7 1.0
CB A:GLU332 4.5 27.4 1.0
O2A A:ADP601 4.7 34.5 1.0
CD2 A:TYR333 4.8 17.6 1.0
ND2 A:ASN311 4.9 20.4 1.0
OD1 A:ASN311 5.0 18.0 1.0
O A:ASP330 5.0 21.7 1.0

Magnesium binding site 3 out of 4 in 3g15

Go back to Magnesium Binding Sites List in 3g15
Magnesium binding site 3 out of 4 in the Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:25.6
occ:1.00
 O2A B:ADP601 2.1 29.3 1.0
O1B B:ADP601 2.1 24.1 1.0
OD2 B:ASP330 2.1 27.4 1.0
OD1 B:ASN311 2.2 16.7 1.0
O B:HOH2 2.2 25.5 1.0
O2 B:SO4604 2.2 24.7 1.0
PB B:ADP601 3.2 31.9 1.0
CG B:ASP330 3.2 20.9 1.0
CG B:ASN311 3.2 18.5 1.0
PA B:ADP601 3.3 28.6 1.0
S B:SO4604 3.5 32.9 1.0
O3A B:ADP601 3.5 30.7 1.0
ND2 B:ASN311 3.6 17.3 1.0
CB B:ASP330 3.6 20.4 1.0
O3B B:ADP601 3.7 31.2 1.0
O3 B:SO4604 3.7 29.1 1.0
MG B:MG605 3.8 24.8 1.0
C5' B:ADP601 4.2 28.0 1.0
O5' B:ADP601 4.3 28.7 1.0
OD1 B:ASP330 4.3 24.9 1.0
O1 B:SO4604 4.3 29.0 1.0
O1A B:ADP601 4.4 28.9 1.0
O B:GLY310 4.4 21.0 1.0
O4 B:SO4604 4.5 24.9 1.0
CB B:ASN311 4.5 17.7 1.0
O2B B:ADP601 4.5 34.2 1.0
O3' B:ADP601 4.5 32.3 1.0
O B:HOH1 4.6 25.8 1.0
C B:GLY310 4.7 19.2 1.0
CA B:ASN311 4.8 17.1 1.0
N B:ASN311 4.9 17.5 1.0
C3' B:ADP601 4.9 30.5 1.0
NE2 B:GLN308 4.9 35.7 1.0

Magnesium binding site 4 out of 4 in 3g15

Go back to Magnesium Binding Sites List in 3g15
Magnesium binding site 4 out of 4 in the Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Human Choline Kinase Alpha in Complex with Hemicholinium-3 and Adp within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg605

b:24.8
occ:1.00
 OE2 B:GLU332 1.8 25.9 1.0
O3B B:ADP601 2.1 31.2 1.0
OD2 B:ASP330 2.2 27.4 1.0
O B:HOH1 2.2 25.8 1.0
O3 B:SO4604 2.3 29.1 1.0
OD1 B:ASP330 2.5 24.9 1.0
CG B:ASP330 2.7 20.9 1.0
CD B:GLU332 2.9 28.8 1.0
CG B:GLU332 3.4 26.1 1.0
PB B:ADP601 3.4 31.9 1.0
S B:SO4604 3.6 32.9 1.0
O1B B:ADP601 3.7 24.1 1.0
MG B:MG602 3.8 25.6 1.0
O B:HOH549 3.8 31.2 1.0
O2 B:SO4604 3.8 24.7 1.0
OE1 B:GLU332 4.0 30.5 1.0
OD2 B:ASP306 4.1 18.7 1.0
CB B:ASP330 4.2 20.4 1.0
O3A B:ADP601 4.2 30.7 1.0
CE2 B:TYR333 4.2 21.5 1.0
O B:HOH550 4.3 36.4 1.0
O4 B:SO4604 4.4 24.9 1.0
CB B:GLU332 4.4 23.8 1.0
O1 B:SO4604 4.5 29.0 1.0
O2B B:ADP601 4.6 34.2 1.0
CD2 B:TYR333 4.7 20.3 1.0
O2A B:ADP601 4.9 29.3 1.0
ND2 B:ASN311 4.9 17.3 1.0
O B:ASP330 4.9 18.9 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: Wed Aug 14 14:00:06 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy